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
652348 6zl2 34524 cing 1-original 1 AMBER distance NOE simple


# Restraints file 1: RST
#
#    1  DT5 H6       1  DT5 H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 /
#
#    1  DT5 H6       1  DT5 H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  28, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    1  DT5 H6       1  DT5 H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  29, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    1  DT5 H6       1  DT5 H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  26, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DG  H8       2  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  42, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DG  H8       2  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    2  DG  H8       2  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  62, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DG  H8       2  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  59, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8       3  DA  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DA  H8       3  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  93, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    3  DA  H8       3  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  94, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8       3  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  91, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H8       4  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 107, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H8       4  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    4  DG  H8       4  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 127, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H8       4  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 124, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H8       5  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 140, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H8       5  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    5  DG  H8       5  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 160, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H8       5  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 157, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       6  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 173, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       6  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  DG  H8       6  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 193, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       6  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 190, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    7  DT  H6       7  DT  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 206, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    7  DT  H6       7  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    7  DT  H6       7  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    7  DT  H6       7  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 222, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    7  DT  C7       7  DT  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 206, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    8  DG  H8       8  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 238, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    8  DG  H8       8  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    8  DG  H8       8  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 258, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    8  DG  H8       8  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 255, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DG  H8       9  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 271, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DG  H8       9  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 290, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DG  H8       9  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 291, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DG  H8       9  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 288, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DG  H8      10  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 304, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DG  H8      10  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DG  H8      10  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 324, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DG  H8      10  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 321, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DT  H6      11  DT  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DT  H6      11  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   11  DT  H6      11  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 356, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DT  H6      11  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 353, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   11  DT  C7      11  DT  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 337, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H8      12  DA  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 369, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DA  H8      12  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   12  DA  H8      12  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 388, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   12  DA  H8      12  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 385, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   12  DA  H2      12  DA  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 369, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H2      12  DA  H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 387, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   12  DA  H2      12  DA  H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 388, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   13  DG  H8      13  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 401, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H8      13  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   13  DG  H8      13  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 421, 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= 404, 418, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   14  DG  H8      14  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 434, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   14  DG  H8      14  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   14  DG  H8      14  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 454, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   14  DG  H8      14  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 451, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   15  DG  H8      15  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 467, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   15  DG  H8      15  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 486, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  DG  H8      15  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 487, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   15  DG  H8      15  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 484, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   16  DT  H6      16  DT  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 500, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DT  H6      16  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   16  DT  H6      16  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 519, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   16  DT  H6      16  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 516, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   16  DT  C7      16  DT  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 500, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   17  DG  H8      17  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 532, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   17  DG  H8      17  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 551, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   17  DG  H8      17  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 552, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   17  DG  H8      17  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 549, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   18  DG  H8      18  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 565, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   18  DG  H8      18  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 584, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   18  DG  H8      18  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 585, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   18  DG  H8      18  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 582, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H8      19  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 598, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H8      19  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 617, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H8      19  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 618, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H8      19  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 615, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H6      20  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 631, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H6      20  DC  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   20  DC  H6      20  DC  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 648, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H6      20  DC  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 645, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   20  DC  H5      20  DC  H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 647, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   20  DC  H5      20  DC  H2''          4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 648, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   21  DT  H6      21  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 661, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   21  DT  H6      21  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 679, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DT  H6      21  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 680, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   21  DT  H6      21  DT  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 677, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   22  DA  H8      22  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 693, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H8      22  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H8      22  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 712, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H8      22  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 709, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H2      22  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 693, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H8      23  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 725, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H8      23  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 744, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DG  H8      23  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 745, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H8      23  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 742, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  H6      24  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 758, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  H6      24  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 776, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   24  DT  H6      24  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 777, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  H6      24  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 774, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  C7      24  DT  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 758, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   25  DC  H6      25  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 790, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H6      25  DC  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 806, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   25  DC  H6      25  DC  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 807, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H6      25  DC  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 804, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H5      25  DC  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 806, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H5      25  DC  H2''          4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 807, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   26  DA  H8      26  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 820, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   26  DA  H8      26  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   26  DA  H8      26  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 839, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   26  DA  H8      26  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 836, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  H6      27  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 852, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  H6      27  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 870, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   27  DT  H6      27  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 871, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  H6      27  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 868, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  C7      27  DT  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 852, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   28  DT  H6      28  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 884, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   28  DT  H6      28  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   28  DT  H6      28  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 903, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   28  DT  H6      28  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 900, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   29  DT  H6      29  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 916, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   29  DT  H6      29  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   29  DT  H6      29  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 935, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   29  DT  H6      29  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 932, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   29  DT  C7      29  DT  H1'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 916, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   30  DT  H6      30  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 948, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   30  DT  H6      30  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 966, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   30  DT  H6      30  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 967, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   30  DT  H6      30  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 964, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   30  DT  C7      30  DT  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 948, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   31  DG  H8      31  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 980, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   31  DG  H8      31  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   31  DG  H8      31  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 983,1000, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   31  DG  H8      31  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 997, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H8      32  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1013, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H8      32  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   32  DA  H8      32  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1032, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H8      32  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1029, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H2      32  DA  H1'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1013, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   33  DC  H6      33  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1045, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   33  DC  H6      33  DC  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1061, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   33  DC  H6      33  DC  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1062, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   33  DC  H6      33  DC  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1059, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   34  DT  H6      34  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1075, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   34  DT  H6      34  DT  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1093, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   34  DT  H6      34  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1094, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   34  DT  H6      34  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1091, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   35  DA  H8      35  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1107, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   35  DA  H8      35  DA  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   35  DA  H8      35  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1126, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   35  DA  H8      35  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1123, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   35  DA  H2      35  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1107, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   36  DG3 H8      36  DG3 H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1139, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   36  DG3 H8      36  DG3 H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   36  DG3 H8      36  DG3 H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1159, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   36  DG3 H8      36  DG3 H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1156, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    1  DT5 H2'      3  DA  H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  78, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    1  DT5 H2''     3  DA  H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  78, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    2  DG  H8       1  DT5 H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  13, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    2  DG  H8       1  DT5 H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  10, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DG  H8       1  DT5 H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  28, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DG  H8       1  DT5 H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  29, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    2  DG  H8       1  DT5 H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  26, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8       2  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  45, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H8       2  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  42, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8       2  DG  H2'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  61, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H8       2  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  62, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8       2  DG  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  59, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H2       1  DT5 C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  15, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H8       1  DT5 H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  28, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    3  DA  H8       1  DT5 H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  29, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    4  DG  H8       3  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  75, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H8       3  DA  H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  93, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#    4  DG  H8       3  DA  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  94, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H8       3  DA  H3'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  91, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    4  DG  H8       5  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 143, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    5  DG  H8       4  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 107, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H8       4  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 126, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H8       4  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    5  DG  H8       4  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 124, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       5  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 140, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       5  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  DG  H8       5  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 160, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    6  DG  H8       5  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 157, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DG  H8       8  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 238, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DG  H8       8  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DG  H8       8  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#    9  DG  H8       8  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 255, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DG  H8       9  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 271, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DG  H8       9  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 290, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DG  H8       9  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 291, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   10  DG  H8       9  DG  H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 288, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H2      10  DG  H1'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 304, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  /
#
#   12  DA  H2      11  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 342, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   12  DA  H2      13  DG  H2'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 420, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H2      13  DG  H2''          4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 421, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H2      13  DG  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 418, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H8      11  DT  H1'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 337, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   12  DA  H8      11  DT  H1'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 337, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   12  DA  H8      11  DT  H2'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 355, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H8      11  DT  H2''          4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 356, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H8      11  DT  H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 340, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   12  DA  H8      13  DG  H2'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 420, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H8      13  DG  H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 421, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   12  DA  H8      13  DG  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 418, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   12  DA  H2      14  DG  H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 437, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H8      12  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 369, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H8      14  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 437, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   14  DG  H8      13  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 401, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   14  DG  H8      13  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 420, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   14  DG  H8      13  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 421, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   14  DG  H8      13  DG  H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 418, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   15  DG  H8      14  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 434, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   15  DG  H8      14  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 453, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   15  DG  H8      14  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   15  DG  H8      14  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 451, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   18  DG  H8      17  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 532, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   18  DG  H8      17  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 551, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   18  DG  H8      17  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 552, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   18  DG  H8      17  DG  H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 549, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   19  DG  H8      18  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 565, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H8      18  DG  H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 584, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H8      18  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 585, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   19  DG  H8      18  DG  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 582, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H8      20  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 636, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H1'     21  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 666, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H5      19  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 598, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H5      19  DG  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 615, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   20  DC  H5      21  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 666, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H5      19  DG  H2'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 617, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   20  DC  H5      19  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 618, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H6      19  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 598, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H6      19  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 617, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   20  DC  H6      19  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 618, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   20  DC  H6      19  DG  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 615, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   20  DC  H6      21  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 666, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   21  DT  H6      20  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 631, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   21  DT  H6      20  DC  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 647, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   21  DT  H6      20  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H8      21  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 661, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H8      21  DT  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 679, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H8      21  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 680, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H8      21  DT  H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 664, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   22  DA  H8      21  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 666, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   22  DA  H8      23  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 728, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   23  DG  H8      22  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 693, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H8      22  DA  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 711, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H8      22  DA  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   23  DG  H8      22  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 709, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H8      24  DT  H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 761, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   24  DT  H6      23  DG  H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 742, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   24  DT  H6      25  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 795, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  C7      25  DC  H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 795, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H6      24  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 758, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H6      24  DT  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 776, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H6      24  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 777, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   25  DC  H6      24  DT  H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 774, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   26  DA  H8      25  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 790, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   26  DA  H8      25  DC  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 806, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   26  DA  H8      25  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 807, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   26  DA  H8      25  DC  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 804, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  H1'     28  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 889, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   27  DT  H1'     29  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 921, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   27  DT  H6      26  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 820, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  H6      26  DA  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 838, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  H6      26  DA  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 839, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   27  DT  H6      26  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 836, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DT  C7      26  DA  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 820, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   27  DT  H2'     26  DA  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 820, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   27  DT  H6      28  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 889, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   28  DT  H1'     29  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 921, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   28  DT  H6      27  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 852, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   28  DT  H6      27  DT  H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 870, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   28  DT  H6      27  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 871, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   28  DT  H6      27  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 868, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   29  DT  H1'     30  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 953, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   29  DT  H6      28  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 884, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   29  DT  H6      28  DT  H2'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 902, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   29  DT  H6      28  DT  H2''          3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 903, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   29  DT  H6      28  DT  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 900, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   30  DT  H6      29  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 916, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   30  DT  H6      29  DT  H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 934, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   30  DT  H6      29  DT  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 935, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   30  DT  H6      29  DT  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 932, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   31  DG  H8      30  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 948, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   31  DG  H8      30  DT  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 966, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   31  DG  H8      30  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   31  DG  H8      30  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 964, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   31  DG  H8      30  DT  H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 951, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   32  DA  H2      25  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1025, 790, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H2      33  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1045, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H8      31  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1016, 980, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H8      31  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1016, 999, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   32  DA  H8      31  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1000, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   32  DA  H8      31  DG  H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1016, 997, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   32  DA  H8      31  DG  H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1016, 983, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   32  DA  H8      33  DC  H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1048, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   32  DA  H8      33  DC  H5            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1050, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   33  DC  H1'     34  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1080, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   33  DC  H5      34  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1080, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   33  DC  H6      32  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1013, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   33  DC  H6      32  DA  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1031, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   33  DC  H6      32  DA  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1032, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   33  DC  H6      32  DA  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1029, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   34  DT  H6      33  DC  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1045, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   34  DT  H6      33  DC  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1061, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   34  DT  H6      33  DC  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1062, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   34  DT  H6      33  DC  H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1059, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#   35  DA  H8      34  DT  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1075, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   35  DA  H8      34  DT  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1093, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   35  DA  H8      34  DT  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   35  DA  H8      34  DT  H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1091, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   35  DA  H8      34  DT  H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1078, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   35  DA  H8      34  DT  C7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1080, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   35  DA  H8      36  DG3 H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1142, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   36  DG3 H8      35  DA  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1107, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   36  DG3 H8      35  DA  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1125, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   36  DG3 H8      35  DA  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   36  DG3 H8      35  DA  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1123, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   36  DG3 H8       6  DG  H1'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1142, 173, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   36  DG3 H1'      6  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1139, 173, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   36  DG3 H2''     6  DG  H1'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1159, 173, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   36  DG3 H1'      6  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1139, 192, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   36  DG3 H1'      6  DG  H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1139, 193, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H2       1  DT5 C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  15, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H2      17  DG  H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 552, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    3  DA  H2      17  DG  H1'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 532, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H1'     17  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 541, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    2  DG  H8      17  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 541, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    2  DG  H8      13  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 410, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    2  DG  H1'      4  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 116, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H2      17  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 541, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H2       4  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 116, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    3  DA  H8      17  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 541, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    4  DG  H8      17  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 541, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    4  DG  H8      18  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 574, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    4  DG  H1       8  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 241, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    4  DG  H1       5  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 149, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H8      19  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 607, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    5  DG  H8      18  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 574, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    5  DG  H1       8  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 241, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    5  DG  H1       9  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 274, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    5  DG  H1       6  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 182, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H1       9  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 280, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    6  DG  H1      36  DG3 H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,1158, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    6  DG  H1      36  DG3 H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,1159, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    6  DG  H1       9  DG  H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 290, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    6  DG  H1       9  DG  H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 290, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    6  DG  H8      19  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 607, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    6  DG  H1       9  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 274, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    6  DG  H1      10  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 307, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    8  DG  H1      13  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 404, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#    9  DG  H8       6  DG  H1            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 182, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#    9  DG  H1       8  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 247, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    9  DG  H1      10  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 313, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   10  DG  H1      14  DG  H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 454, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   13  DG  H1      14  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 443, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H1       9  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 280, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   13  DG  H1       8  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 247, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   13  DG  H1      17  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 535, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   13  DG  H8       9  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 280, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   13  DG  H8       9  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 280, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   14  DG  H8       9  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 280, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   14  DG  H8      10  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 313, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   15  DG  H1      14  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 443, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   15  DG  H1      18  DG  H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 584, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   15  DG  H1      19  DG  H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 601, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   17  DG  H8      13  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 410, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   17  DG  H8      14  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 443, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   18  DG  H8      14  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 443, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   18  DG  H8      15  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 476, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   19  DG  H1       6  DG  H1            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 182, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   19  DG  H1      18  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 574, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H1       5  DG  H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 159, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   22  DA  H2      23  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 734, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DA  H2      34  DT  H3            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 705,1087, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   22  DA  H2      21  DT  H3            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 673, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H1      24  DT  H3            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 770, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H1      34  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 734,1080, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   25  DC  H41     24  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 763, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H41     30  DT  C7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 953, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   25  DC  H42     24  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 763, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   25  DC  H42     30  DT  C7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 953, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   25  DC  H41     31  DG  H1            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   25  DC  H42     31  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 989, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   31  DG  H1      24  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 989, 763, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   31  DG  H1      30  DT  C7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 989, 953, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   32  DA  H2      24  DT  H3            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1025, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   33  DC  H41     23  DG  H1            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1053, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   33  DC  H42     23  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1054, 734, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   33  DC  H42     34  DT  H3            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1087, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  /
#
#   33  DC  H42     34  DT  C7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1080, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   35  DA  H2      21  DT  H3            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1119, 673, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   36  DG3 H8       6  DG  H1            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1142, 182, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DG  H1'     24  DT  C7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 763, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  H6      23  DG  H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 725, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  H6      23  DG  H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 744, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   24  DT  H6      23  DG  H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 745, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   21  DT  H6      20  DC  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 645, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   22  DA  H8      21  DT  H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 677, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  /
#
#   35  DA  H2      22  DA  H2            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1119, 705, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /


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