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
639393 6r9k 34389 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=40.0, rk3=40.0, ir6=1, ialtd=0,
 igr1= 112, 113, 114,
 /
#
#    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  H1'      4  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    4  DT  H2'      4  DT  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 106, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    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,  /
#
#    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  H6       3  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  73, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    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,  /
#
#    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,  /
#
#    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,  /
#
#   23  DC  H2''    23  DC  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DC  H2'     23  DC  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 724, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    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,  /
#
#   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,  /
#
#    2  DC  H2'      2  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  46, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H6       9  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DC  H6       9  DC  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H8       9  DC  H2'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 285, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   10  DA  H8       9  DC  H2''          2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 286, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   10  DA  H1'     10  DA  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H1'     10  DA  H2'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 317, 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,  /
#
#   10  DA  H8       9  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 269, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H2''    22  DA  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H1'     22  DA  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 695, 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,  /
#
#   22  DA  H2''    22  DA  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 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, 710, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    1  DG5  H2'      2  DC  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  46, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H8      21  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 659, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    4  DT  H6       3  DG  H2'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  92, 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,  /
#
#    4  DT  H6       4  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    5  DG  H2'      5  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 138, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    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,  /
#
#    5  DG  H2'      5  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 141, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    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,  /
#
#    5  DG  H2''     5  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 141, 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  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,  /
#
#    4  DT  H7       3  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  92, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 112, 113, 114,
 /
#
#   25  DC3 H6      25  DC3 H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 787, 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,  /
#
#    8  DT  H2'      9  DC  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 272, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    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,  /
#
#    9  DC  H6       9  DC  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 269, 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,  /
#
#    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  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,  /
#
#    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  H2''     8  DT  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 240, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    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= 255, 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,  /
#
#    3  DG  H2''     3  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  73, 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= 318, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H8      10  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 317, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H1'     11  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 334, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   10  DA  H2''    11  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H1'     11  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 334, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   11  DG  H1'     11  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   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  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H8      11  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H1'     12  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H8      11  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H2'     12  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 367, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   12  DG  H2''    12  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 367, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   12  DG  H2'     12  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H1'     12  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 367, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   12  DG  H1'     13  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 400, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   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,  /
#
#   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,  /
#
#   13  DG  H2'     13  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   13  DG  H1'     13  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   13  DG  H2'     13  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   13  DG  H8      13  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 417, 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,  /
#
#   16  DG  H1'     17  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 531, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   17  DG  H1'     17  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 531, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   17  DG  H2'     17  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   17  DG  H1'     17  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   17  DG  H2''    17  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 531, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H2''    17  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 531, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H1'     16  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H2'     16  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 495, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   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  H2'     16  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 498, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H1'     16  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 498, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   15  DG  H1'     16  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 498, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   15  DG  H1'     15  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 465, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   15  DG  H2''    16  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 498, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  DG  H2''    15  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  DG  H1'     15  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H8      15  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  DG  H2''    15  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 465, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   15  DG  H2'     15  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H1'     19  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 596, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   19  DG  H2''    19  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 596, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   19  DG  H2'     19  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 596, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H2'     20  DG  H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   20  DG  H8      19  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 593, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   20  DG  H8      19  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   20  DG  H8      20  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 626, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   21  DG  H8      20  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H7       8  DT  H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 243, 244, 245,
 /
#
#    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  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,
 /
#
#   23  DC  H5      23  DC  H41           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 732, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   22  DA  H1'     23  DC  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 727, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H6       2  DC  H42           2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  52, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    2  DC  H41      2  DC  H5            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  48, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   23  DC  H5      23  DC  H42           1.8    4.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 733, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  /
#
#    2  DC  H6       1  DG5  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  10, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   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,  /
#
#   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,  /
#
#   24  DG  H1'     24  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 773, 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,  /
#
#    2  DC  H1'      2  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    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  H1'      2  DC  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  46, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   23  DC  H1'     23  DC  H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 727, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   24  DG  H1'     24  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 757, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   23  DC  H5      22  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 695, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   23  DC  H41     23  DC  H42           1.8    4.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 733, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  /
#
#    2  DC  H5       1  DG5  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  13, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    2  DC  H41      2  DC  H42           1.8    4.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  /
#
#    1  DG5  H1'      1  DG5  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   25  DC3 H6      24  DG  H2'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 773, 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,  /
#
#   25  DC3 H6      25  DC3 H5            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 792, 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= 774, 757, 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,  /
#
#    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,  /
#
#   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,  /
#
#   21  DG  H8      22  DA  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 695, 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,  /
#
#    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,  /
#
#   12  DG  H8      11  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 334, 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,  /
#
#   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,  /
#
#    2  DC  H6       1  DG5  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  13, 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,  /
#
#    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,  /
#
#    7  BG  H2'1     7  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    7  BG  H2'2     7  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H2'     19  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 593, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H2''    19  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 593, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H2''    12  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H2'     12  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  BG  H2'1     6  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  BG  H2'2     6  BG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H6       7  BG  H2'1          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 209, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    7  BG  H2'1    10  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 311, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DA  H8       7  BG  H2'1          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 209, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    7  BG  H2'2    10  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 311, 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= 286, 311, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H2''     6  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 192, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    5  DG  H2'      6  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 192, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    6  BG  H2'1     7  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 225, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    6  BG  H2'2     7  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 225, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    7  BG  H1       6  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 192, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   10  DA  H2'      7  BG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 225, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   10  DA  H2''     7  BG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 225, 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,  /
#
#   10  DA  H8       7  BG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 225, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    5  DG  H1       6  BG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 192, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   12  DG  H8       5  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 147, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    4  DT  H2''     5  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 147, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    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,  /
#
#   12  DG  H8       6  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 192, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   11  DG  H8       6  BG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 192, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   11  DG  H8       7  BG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 225, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    7  BG  H1      10  DA  H2            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 311, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   11  DG  H1      10  DA  H2            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 311, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   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,  /
#
#   13  DG  H8       5  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 147, 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,  /
#
#   20  DG  H8      17  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 537, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   12  DG  H1      16  DG  H8            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 498, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   12  DG  H1      15  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 465, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   12  DG  H1      11  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 340, 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,  /
#
#   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,  /
#
#   15  DG  H1      19  DG  H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 596, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   16  DG  H1      15  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 471, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   16  DG  H1      17  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 537, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    4  DT  H7      13  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 112, 113, 114,
 /
#
#    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,  /
#
#   24  DG  H1       2  DC  H5            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  48, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#   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,  /
#
#    3  DG  H8       4  DT  H3            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 118, 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,  /
#
#    3  DG  H1      23  DC  H42           2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 733, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#   24  DG  H1       2  DC  H42           2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  52, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    2  DC  H5       2  DC  H42           1.8    4.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  /
#
#   22  DA  H3'     22  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 695, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   21  DG  H3'     21  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 659, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   21  DG  H3'     22  DA  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 695, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   21  DG  H3'     21  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 662, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   19  DG  H3'     19  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 593, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   15  DG  H3'     15  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 462, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   10  DA  H1'     10  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 315, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DA  H8      10  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 315, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DG  H8      10  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 315, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H3'     20  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 629, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DG  H3'     20  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 629, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DG  H3'     20  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 626, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   22  DA  H3'     22  DA  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 692, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   11  DG  H3'     11  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 331, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   11  DG  H3'     11  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 334, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   16  DG  H3'     16  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 495, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   16  DG  H3'     16  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 498, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   15  DG  H3'     16  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 498, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   23  DC  H3'     24  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 757, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DG  H3'     24  DG  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 757, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   24  DG  H3'     24  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 754, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    1  DG5  H3'      1  DG5  H8            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    1  DG5  H3'      1  DG5  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  10, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DC  H5       1  DG5  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  10, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H8      13  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 414, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   12  DG  H3'     12  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 364, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   12  DG  H3'     13  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 400, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H1'     13  DG  H3'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 414, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   17  DG  H3'     17  DG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 528, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    3  DG  H3'      3  DG  H8            2.6    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  76, r1= 2.10, r2= 2.60, r3= 4.00, r4= 4.50,  /
#
#    3  DG  H3'      3  DG  H1'           3.0    4.4 
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  73, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90,  /
#
#    5  DG  H3'      5  DG  H1'           3.2    4.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 138, r1= 2.70, r2= 3.20, r3= 4.80, r4= 5.30,  /
#
#   12  DG  H3'     12  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 367, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DG  H3'     12  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 367, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DG  H3'     25  DC3 H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 790, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC3 H3'     25  DC3 H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 787, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   25  DC3 H3'     25  DC3 H6            2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 790, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    7  BG  H3'      7  BG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#   22  DA  H3'     23  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 727, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    1  DG5  H3'      2  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  46, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DC  H3'      9  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 272, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DC  H3'      9  DC  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 269, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    3  DG  H3'      4  DT  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 109, 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,  /
#
#   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,  /
#
#    8  DT  H7       7  BG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 243, 244, 245,
 /
#
#    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,
 /
#
#    4  DT  H7       4  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 112, 113, 114,
 /
#
#    9  DC  H5       9  DC  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 285, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    8  DT  H7       9  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 243, 244, 245,
 /
#
#    8  DT  H2'      9  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 274, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    8  DT  H2''     9  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 274, 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,  /
#
#    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,  /
#
#    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  H5      22  DA  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 710, 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,  /
#
#   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,  /
#
#   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,  /
#
#   19  DG  H3'     19  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  DG  H2''    15  DG  H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H2'     19  DG  H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  DG  H3'     15  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    7  BG  H2'2     7  BG  H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H2''    22  DA  H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DG  H2'     21  DG  H3'           2.4    3.6 
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 676, r1= 1.90, r2= 2.40, r3= 3.60, r4= 4.10,  /
#
#   17  DG  H2'     17  DG  H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   17  DG  H3'     17  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H2'     16  DG  H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    7  BG  H2'1     7  BG  H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H3'     11  DG  H2''          2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 351, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    6  BG  H3'      6  BG  H1'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 174, r1= 1.50, r2= 2.00, r3= 5.00, r4= 5.50,  /
#
#    7  BG  H2'2     7  BG  H2'1          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  BG  H2'2     6  BG  H2'1          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    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,  /
#
#   15  DG  H2''    15  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DG  H2'     11  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H2'     19  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DG  H2'     12  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 384, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H2''    22  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 710, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DG  H2'     16  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   24  DG  H2''    24  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 773, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DA  H2''    10  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 317, 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=  93,  92, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DT  H2'      8  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 256, 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,  /
#
#    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,  /
#
#    4  DT  H7       3  DG  H2''          2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.50, r2= 2.00, r3= 6.00, r4= 6.50,
 igr1= 112, 113, 114,
 /
#
#    4  DT  H7      21  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 2.30, r2= 2.80, r3= 6.24, r4= 6.74,
 igr1= 112, 113, 114,
 /
#
#    4  DT  H7      17  DG  H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 537, r1= 3.30, r2= 3.80, r3= 7.45, r4= 7.95,
 igr1= 112, 113, 114,
 /
#
#   11  DG  H1       7  BG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 225, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /
#
#    2  DC  H41     23  DC  H41           3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 732, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  /
#
#    2  DC  H41      2  DC  H6            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  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,  /
#
#   10  DA  H2       9  DC  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 272, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H8       4  DT  H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 109, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DT  H7      13  DG  H2''          2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.50, r2= 2.00, r3= 6.00, r4= 6.50,
 igr1= 112, 113, 114,
 /
#
#    4  DT  H7       4  DT  H2'           2.0    5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 124, r1= 1.50, r2= 2.00, r3= 6.00, r4= 6.50,
 igr1= 112, 113, 114,
 /
#
#    9  DC  H2'     10  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 318, 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, 317, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H1'     23  DC  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 740, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H2      21  DG  H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 668, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  /


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