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
639402 6r9l 34390 cing 1-original 1 AMBER distance NOE simple


# Restraints file 1: RST
#
#    4  DT  H7       4  DT  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 112, 113, 114,
 /
#
#    4  DT  H2'      4  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    4  DT  H2''     4  DT  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    4  DT  H2'      4  DT  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    4  DT  H1'      4  DT  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 109, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    4  DT  H2'      4  DT  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    4  DT  H2''     4  DT  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DG  H2'      3  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  93, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DG  H2'      4  DT  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 109, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    3  DG  H2''     4  DT  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DG  H2'      3  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DG  H1'      4  DT  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 109, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    4  DT  H7       3  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 112, 113, 114,
 /
#
#    3  DG  H2'      3  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  76, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DG  H2''     3  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  76, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DG  H1'      3  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  76, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H1'      3  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  76, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H2'      2  DC  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  43, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H2''     2  DC  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H2'      3  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  76, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H2''     3  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  76, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H6       2  DC  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  43, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H6       2  DC  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  59, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H6       2  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H2'      2  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    5  DG  H2''     5  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H6       2  DC  H5            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  48, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H5       1  DG5 H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  13, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DC  H5       2  DC  H41           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  51, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H42      2  DC  H41           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  51, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DC  H42      2  DC  H5            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  48, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H41     23  DC  H42           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 733, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H5      23  DC  H42           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 733, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   23  DC  H5      23  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H1'     23  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 727, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DC  H1'     23  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H1'     23  DC  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 740, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H2'     23  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H2''    23  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H2'     23  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H2''    23  DC  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 727, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   22  DA  H2'     23  DC  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 727, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   22  DA  H1'     23  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 727, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H2'     22  DA  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 692, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H1'     22  DA  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H1'     22  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 695, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   21  DG  H1'     22  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 695, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   22  DA  H2'     22  DA  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H2''    21  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 659, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H2''    22  DA  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H2'     21  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 679, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H2'     21  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 659, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H2''    21  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H2'     21  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2'      9  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2'      9  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H1'     24  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 757, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   24  DG  H1'     25  DC3 H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 790, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   23  DC  H2''    24  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 757, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   23  DC  H2'     24  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 757, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   25  DC3 H5      24  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 757, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC3 H5      25  DC3 H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   25  DC3 H1'     25  DC3 H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 790, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DG  H2'     25  DC3 H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 790, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   24  DG  H2''    25  DC3 H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 790, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   24  DG  H2''    24  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 754, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   24  DG  H2'     24  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 757, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2'      9  DC  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2''     9  DC  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2''     9  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2'     10  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 302, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    9  DC  H2''    10  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 302, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    9  DC  H1'      9  DC  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 272, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    9  DC  H5       9  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H2'     10  DA  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H2''    10  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H2'     10  DA  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 299, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   10  DA  H2''    10  DA  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H6       8  DT  H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 243, 244, 245,
 /
#
#    8  DT  H2'      8  DT  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H6       8  DT  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H2''     8  DT  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H2'      8  DT  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 237, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    8  DT  H6       8  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H2''     9  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 272, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    8  DT  H2'      9  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 272, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DC  H6      22  DA  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 695, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DC  H6      24  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 757, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC3 H6      24  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 757, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DG  H8      12  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 367, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DC  H6      10  DA  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 302, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DC  H2'     10  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 311, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       6  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  DG  H8       7  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 204, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H2'      6  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 171, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    6  DG  H2''     6  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  DG  H2'      6  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 174, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    6  DG  H2''     6  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 174, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    7  DG  H8       6  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 171, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    6  DG  H2'      7  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    7  DG  H8       7  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 204, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    4  DT  H6       3  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  76, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H1'     13  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 400, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   12  DG  H1'     13  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H2'     13  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H1'     12  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   17  DG  H8      17  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 528, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   17  DG  H2'     17  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 528, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   11  DG  H8      11  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H2'     11  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 334, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   11  DG  H2''    11  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 350, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H2''    11  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 334, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   11  DG  H2'     11  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 331, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   11  DG  H2''    11  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H2'     12  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    5  DG  H1'      5  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  BG  H2'2    15  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  BG  H2'1    15  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  BG  H2'2    15  BG  H2'1          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 467, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  BG  H2'2    16  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 498, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  BG  H2'1    16  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 498, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  BG  H1'     16  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 498, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H8      16  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 495, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   16  DG  H2'     16  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 495, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H2''    16  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 495, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H8      16  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H8      16  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 514, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   17  DG  H8      16  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 495, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  BG  H2'1    19  BG  H2'2          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 599, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  BG  H2'1    19  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 596, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  BG  H2'2    19  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 596, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  BG  H2'1    20  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  BG  H2'2    20  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   20  DG  H2'     20  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  BG  H1'     20  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 629, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   20  DG  H1'     20  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 629, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   20  DG  H2'     20  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   20  DG  H2''    20  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   20  DG  H2''    20  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H8      20  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  DG  H2''     6  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2'      9  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 274, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DT  H7       3  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 112, 113, 114,
 /
#
#    3  DG  H2'      4  DT  H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 112, 113, 114,
 /
#
#    1  DG5 H2'     1  DG5  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    1  DG5 H2'     1  DG5  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  30, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H6      23  DC  H42           3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 733, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    6  DG  H8       7  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 207, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DC  H6       3  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  76, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DG  H1      10  DA  H1'           2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 299, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    5  DG  H1       4  DT  H7            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 2.30, r2= 2.80, r3= 6.24, r4= 6.74,
 igr2= 112, 113, 114,
 /
#
#    5  DG  H1       4  DT  H6            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 109, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    5  DG  H1       4  DT  H2''          3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 125, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    4  DT  H2'      5  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 147, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    5  DG  H1      13  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 400, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   20  DG  H1       6  DG  H8            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 174, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   12  DG  H1      15  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 483, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   23  DC  H42      3  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  82, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   23  DC  H41      3  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  82, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    2  DC  H42     24  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 763, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    2  DC  H41     24  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 763, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   22  DA  H2       4  DT  H3            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 118, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   23  DC  H41     22  DA  H2            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 704, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   15  BG  H1      10  DA  H2            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 311, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   16  DG  H8      12  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 373, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   13  DG  H1      12  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 373, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   13  DG  H1      16  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 498, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   13  DG  H1      17  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 531, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   16  DG  H1      20  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 629, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   17  DG  H1      16  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 504, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   17  DG  H1      20  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 629, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    7  DG  H1      20  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 635, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    6  DG  H1      11  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 340, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    6  DG  H1       5  DG  H2'           2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 157, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    5  DG  H2''     6  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 180, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    1  DG5 H2'      2  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  46, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DC  H6       1  DG5  H2''          2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  30, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    5  DG  H2'      5  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    5  DG  H2''     5  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 141, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   13  DG  H1       4  DT  H7            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 2.30, r2= 2.80, r3= 6.24, r4= 6.74,
 igr2= 112, 113, 114,
 /
#
#    1  DG5 H2''     1 DG5  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  13, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    4  DT  H7      13  DG  H8            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 2.30, r2= 2.80, r3= 6.24, r4= 6.74,
 igr1= 112, 113, 114,
 /
#
#   10  DA  H1'     11  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 340, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    1  DG5 H1'      1  DG5 H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DC  H6       1  DG5 H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  10, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    1  DG5 H2'      1  DG5 H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  10, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H2''     5  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    5  DG  H1'     22  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 704, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H1'     22  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 704, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H1'      5  DG  H2'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 157, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H42      2  DC  H6            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  46, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   23  DC  H41     23  DC  H6            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 727, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   21  DG  H8      17  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 537, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   12  DG  H2''    12  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H2''    13  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H2''    10  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 311, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DA  H1'     10  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 311, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   21  DG  H8      20  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 626, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   12  DG  H2''    12  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H3'     21  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 659, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H1'     22  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 708, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DC  H5      22  DA  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 695, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DG  H3'     20  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 629, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   16  DG  H8      16  DG  H3'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 512, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   10  DA  H3'     10  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 299, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DA  H3'     10  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 302, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    8  DT  H7       8  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 243, 244, 245,
 /
#
#    8  DT  H7       7  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 243, 244, 245,
 /
#
#    2  DC  H2'      2  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  48, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DC  H2'     23  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 729, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DC  H2''     2  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  48, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DC  H2''    23  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 729, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    1  DG5 H2'      2  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  48, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    1  DG5 H2''     2  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  48, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H2''    23  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 729, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H2'     23  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 729, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    8  DT  H2'      8  DT  H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 243, 244, 245,
 /
#
#    4  DT  H7       3  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  73, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 112, 113, 114,
 /
#
#   10  DA  H2      15  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 483, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    6  DG  H8      20  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 635, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   24  DG  H2''    25  DC3 H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 792, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DG  H2'     25  DC3 H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 792, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DG  H1      10  DA  H2            3.4    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 311, r1= 2.90, r2= 3.40, r3= 5.20, r4= 5.70,  /
#
#    7  DG  H8      10  DA  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 302, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DT  H6      13  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 400, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DG  H1      15  BG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 483, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   21  DG  H1      22  DA  H2            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 704, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   21  DG  H1       5  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 141, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   21  DG  H1       6  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 174, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    7  DG  H8      11  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 340, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   11  DG  H1      10  DA  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 302, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    6  DG  H1      12  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 367, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   20  DG  H1      16  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 504, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#
#    1  DG5  H2'      1  DG5  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /


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