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
535298 2lee 17709 cing 1-original 1 AMBER distance NOE simple


#
#  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'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  26, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,   4, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H2''    1 DT5  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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''    3 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2''    2 DA   H4'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  39, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H2''    2 DA   H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  36, 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  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  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   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  54, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H2'     2 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2'     3 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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  H6    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  13, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H4'     2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &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  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H5'     2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H6      7 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 212, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H6      2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  45, 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,   4, 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      7 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  15, 212, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  C7     11 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  15, 343, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H1'     2 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  54, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &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     15 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 474, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  58, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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''    3 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  58, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &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   H4'     2 DA   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  58, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H4'     2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &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   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  58, 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=  37,  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   H5'     1 DT5  H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  10, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 DA   H5'     1 DT5  H3'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  26, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 DA   H5'     2 DA   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  58, 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   H8      3 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  83, 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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H2''    3 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  74, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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''    4 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H2'     3 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  74, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   H2'     4 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   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   H4'     3 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  91, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H5'     3 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  91, 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   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  91, 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=  69,  71, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H8      4 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H8     15 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 474, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H8     16 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 507, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H1      3 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H1      7 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 212, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H1'     5 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2''    4 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 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= 127, 124, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2''    4 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 104, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2''    4 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 127, 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= 126, 124, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2'     4 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 104, 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   H2'     5 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 143, 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    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  77, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  4 DG   H8     16 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 507, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H8     17 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 540, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H1      4 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 116, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H1'     5 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 143, 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'     5 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 140, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   H8     17 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 540, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 DC   H1'     6 DC   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 187, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2''    6 DC   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 170, 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= 190, 176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2'     6 DC   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 DC   H2'     6 DC   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 187, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2'     6 DC   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 170, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 DC   H2'     6 DC   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H4'     6 DC   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 DC   H4'     6 DC   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 187, 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     11 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 343, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 200, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 239, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H2'     7 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 203, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H2'     7 DG   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 223, 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   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 200, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H2'     7 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 206, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H2'     8 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 239, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H3'     7 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 203, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H8      4 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 116, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H1      7 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 212, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H1     11 DG   H1    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 343, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H1'     8 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 239, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H1'     9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H2''    9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H8      4 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 116, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H8      5 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 149, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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'     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   H8      5 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 149, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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
#
# 10 DA   H1'    10 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   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   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'   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   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 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''   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   H3'    10 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H4'    10 DA   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 318, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H1'    11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 351, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2''   11 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 331, 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= 354, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H2''   12 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 370, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2'    11 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 334, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2'    11 DG   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 354, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2'    11 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2'    11 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 331, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H2'    11 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 337, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2'    12 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 370, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H3'    11 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 334, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H3'    11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H3'    12 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 370, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H4'    11 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 334, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H4'    11 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 351, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H4'    11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H5''   11 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 334, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H5''   11 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 351, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H5''   11 DG   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H5''   11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H5'    11 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 351, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H5'    11 DG   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 331, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H5'    11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H8      7 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 212, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 DG   H1      8 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 245, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 DG   H1     11 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 343, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 DG   H1'    12 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 370, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 DG   H1'    13 DG   H8    2.6     5.0    (#medium   )
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 DG   H2''   12 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 384, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H2''   13 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 403, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H8      8 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 245, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 DG   H8      9 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 278, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 DG   H1      9 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 278, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 DG   H1     12 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 376, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 DG   H1'    13 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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      9 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 278, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 DA   H1'    14 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 436, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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= 451, 449, 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   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 430, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 DA   H2''   14 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 430, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   H4'    14 DA   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 449, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H1'     2 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  54, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &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   H1'    16 DG   H5''  2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 493, 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'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 482, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H2''   15 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 462, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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''   16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 501, 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   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 485, 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= 484, 482, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H2'    15 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 462, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H8     11 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 343, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H4'    15 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 465, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H5''   15 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 482, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H5'    15 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 482, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H1      3 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  83, 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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 534, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 515, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2''   16 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 495, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H2''   16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 498, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H2'    16 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2'    16 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 495, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   H4'    16 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 498, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H4'    16 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 515, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H4'    16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H5''   16 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 515, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H5''   16 DG   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 495, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H5''   16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H5'    16 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 515, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H5'    16 DG   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 495, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H5'    16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H8     12 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 376, 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     13 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 409, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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'    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   H1'    18 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 561, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H1'    18 DA   H5'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 558, 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'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 548, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2''   18 DA   H5'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 558, 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 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H2'    17 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 531, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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   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   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 531, 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     5.0    (#medium)
 &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
#
# 17 DG   H8     13 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 409, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H1'    18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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     17 DG   H1    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 540, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H2     13 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 409, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H2      5 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 149, 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   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 580, 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= 583, 561, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H2''   18 DA   H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 558, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 18 DA   H2''   18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 567, 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= 582, 564, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H2'    18 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 580, 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   H5'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 558, 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   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H4'    17 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 534, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 18 DA   H4'    18 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 564, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H4'    18 DA   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 580, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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
#
# 18 DA   H5'    18 DA   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 580, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H5'    18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 DA3  H1'    19 DA3  H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 599, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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  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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 599, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &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    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 599, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 DA3  H4'    19 DA3  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 596, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#
#


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