NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
646693 6kn4 cing 1-original 4 AMBER distance NOE simple


# Restraints file 3: Dist.rst
#
#    1  DT5 H6       1  DT5 H1'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
 /
#
#    1  DT5 H6       1  DT5 H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    1  DT5 H6       1  DT5 H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   4, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    1  DT5 H6       1  DT5 H5''    4.0   5.5   
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   5, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    1  DT5 H6       1  DT5 M7      1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  16,  17,  18,
 /
#
#    1  DT5 H1'      1  DT5 H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    8  DT5 H6       8  DT5 H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 236, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    8  DT5 H6       8  DT5 H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    8  DT5 H6       8  DT5 H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 230, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    8  DT5 H6       8  DT5 H5''    4.0   5.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 231, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    8  DT5 H6       8  DT5 M7      1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 242, 243, 244,
 /
#
#    8  DT5 H1'      8  DT5 H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   15  DT5 H6      15  DT5 H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 462, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   15  DT5 H6      15  DT5 H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   15  DT5 H6      15  DT5 H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 456, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   15  DT5 H6      15  DT5 H5''    4.0   5.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 457, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   15  DT5 H6      15  DT5 M7      1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 468, 469, 470,
 /
#
#   15  DT5 H1'     15  DT5 H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   22  DT5 H6      22  DT5 H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 688, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   22  DT5 H6      22  DT5 H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   22  DT5 H6      22  DT5 H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 682, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   22  DT5 H6      22  DT5 H5''    4.0   5.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 683, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   22  DT5 H6      22  DT5 M7      1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 694, 695, 696,
 /
#
#   22  DT5 H1'     22  DT5 H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    2  DT  H6       2  DT  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  42, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    2  DT  H6       2  DT  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    2  DT  H6       2  DT  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  61, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    2  DT  H6       2  DT  H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  36, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    2  DT  H6       2  DT  H5''    4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  37, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    2  DT  H6       2  DT  M7      1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  48,  49,  50,
 /
#
#    9  DT  H6       9  DT  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 268, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    9  DT  H6       9  DT  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    9  DT  H6       9  DT  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    9  DT  H6       9  DT  H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 262, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    9  DT  H6       9  DT  H5''    4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 263, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    9  DT  H6       9  DT  M7      1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 274, 275, 276,
 /
#
#   16  DT  H6      16  DT  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 494, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   16  DT  H6      16  DT  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   16  DT  H6      16  DT  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   16  DT  H6      16  DT  H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 488, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   16  DT  H6      16  DT  H5''    4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 489, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   16  DT  H6      16  DT  M7      1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 500, 501, 502,
 /
#
#   23  DT  H6      23  DT  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 720, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   23  DT  H6      23  DT  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   23  DT  H6      23  DT  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   23  DT  H6      23  DT  H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 714, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   23  DT  H6      23  DT  H5''    4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 715, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   23  DT  H6      23  DT  M7      1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 726, 727, 728,
 /
#
#    3  DA  H8       3  DA  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  74, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    3  DA  H8       3  DA  H2'     1.8   3.5       
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H8       3  DA  H3'     3.0   4.5     
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  90, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    3  DA  H1'      3  DA  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H1'      3  DA  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H1'      3  DA  H3'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  90, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H1'      3  DA  H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H2'      3  DA  H3'     1.8   3.5     
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H2''     3  DA  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H2''     3  DA  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  71, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    3  DA  H3'      3  DA  H4'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H61      3  DA  H62     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H8      10  DA  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 300, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   10  DA  H8      10  DA  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H8      10  DA  H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 316, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   10  DA  H1'     10  DA  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H1'     10  DA  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H1'     10  DA  H3'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 316, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   10  DA  H1'     10  DA  H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H2'     10  DA  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H2''    10  DA  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H2''    10  DA  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 297, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   10  DA  H3'     10  DA  H4'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H61     10  DA  H62     1.8   3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H8      17  DA  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 526, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   17  DA  H8      17  DA  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H8      17  DA  H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 542, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   17  DA  H1'     17  DA  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H1'     17  DA  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H1'     17  DA  H3'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 542, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   17  DA  H1'     17  DA  H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H2'     17  DA  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H2''    17  DA  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H2''    17  DA  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 523, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   17  DA  H3'     17  DA  H4'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H61     17  DA  H62     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H8      24  DA  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 752, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   24  DA  H8      24  DA  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H8      24  DA  H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 768, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   24  DA  H1'     24  DA  H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H1'     24  DA  H2''    1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H1'     24  DA  H3'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 768, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   24  DA  H1'     24  DA  H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H2'     24  DA  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H2''    24  DA  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H2''    24  DA  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 749, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   24  DA  H3'     24  DA  H4'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H61     24  DA  H62     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 761, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  DG  H8       4  DG  H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 106, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    4  G   H8       4  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  G   H8       4  G   H3'     3.0   4.5       
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 123, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    4  G   H8       4  G   H5'     4.0   5.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 100, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    4  G   H8       4  G   H5''    4.0   5.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 101, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H1'      4  DG  H2'     1.8   3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  G   H1'      4  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 123, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    4  G   H1'      4  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  G   H2'      4  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  G   H2'      4  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  DG  H2''     4  DG  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  DG  H2''     4  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 103, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    4  G   H3'      4  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  G   H1'      4  G   H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 100, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H21      4  DG  H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  G   H8      11  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 332, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   11  G   H8      11  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  G   H8      11  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 349, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   11  G   H8      11  G   H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 326, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   11  G   H8      11  G   H5''    4.0   5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 327, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   11  G   H1'     11  G   H2'     1.8   3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  G   H1'     11  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 349, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   11  G   H1'     11  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  G   H2'     11  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  G   H2'     11  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  DG  H2''    11  DG  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  DG  H2''    11  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 329, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   11  G   H3'     11  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  G   H1'     11  G   H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 326, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   11  G   H21     11  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  G   H8      18  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 558, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   18  G   H8      18  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  G   H8      18  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 575, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   18  G   H8      18  G   H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 552, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   18  G   H8      18  G   H5''    4.0   5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 553, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   18  G   H1'     18  G   H2'     1.8   3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  G   H1'     18  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 575, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   18  G   H1'     18  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  G   H2'     18  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  G   H2'     18  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  DG  H2''    18  DG  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  DG  H2''    18  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 555, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   18  G   H3'     18  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  G   H1'     18  G   H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 552, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   18  G   H21     18  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  G   H8      25  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 784, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   25  G   H8      25  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  G   H8      25  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 801, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   25  G   H8      25  G   H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 778, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   25  G   H8      25  G   H5''    4.0   5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 779, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   25  G   H1'     25  G   H2'     1.8   3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  G   H1'     25  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 801, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   25  G   H1'     25  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 781, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  G   H2'     25  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  G   H2'     25  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 781, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  DG  H2''    25  DG  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  DG  H2''    25  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 781, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   25  G   H3'     25  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 781, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  G   H1'     25  G   H5'     4.0   5.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 778, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   25  G   H21     25  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  G   H8       5  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 139, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  G   H8       5  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 158, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  G   H8       5  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 156, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  G   H8       5  G   H4'     3.0   4.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 136, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  G   H8       5  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 133, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  G   H1'      5  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 158, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  G   H1'      5  G   H3'     3.0   4.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 156, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  G   H1'      5  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  G   H1'      5  G   H5'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  G   H1'      5  G   H5''    3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 134, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  G   H2'      5  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  G   H2'      5  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  DG  H2''     5  DG  H3'     1.8   3.5    
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  DG  H2''     5  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 136, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  G   H3'      5  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  G   H21      5  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  G   H8      12  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 365, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  G   H8      12  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  G   H8      12  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 382, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  G   H8      12  G   H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 362, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  G   H8      12  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 359, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  G   H1'     12  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  G   H1'     12  G   H3'     3.0   4.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 382, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  G   H1'     12  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  G   H1'     12  G   H5'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  G   H1'     12  G   H5''    3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 360, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  G   H2'     12  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  G   H2'     12  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  DG  H2''    12  DG  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  DG  H2''    12  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 362, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  G   H3'     12  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  G   H21     12  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  G   H8      19  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 591, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  G   H8      19  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  G   H8      19  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 608, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  G   H8      19  G   H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 588, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  G   H8      19  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 585, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  G   H1'     19  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  G   H1'     19  G   H3'     3.0   4.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 608, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  G   H1'     19  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  G   H1'     19  G   H5'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  G   H1'     19  G   H5''    3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 586, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  G   H2'     19  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  G   H2'     19  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  DG  H2''    19  DG  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  DG  H2''    19  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 588, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  G   H3'     19  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  G   H21     19  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  G   H8      26  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 817, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  G   H8      26  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  G   H8      26  G   H3'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 834, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  G   H8      26  G   H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 814, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  G   H8      26  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 811, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  G   H1'     26  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  G   H1'     26  G   H3'     3.0   4.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 834, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  G   H1'     26  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  G   H1'     26  G   H5'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  G   H1'     26  G   H5''    3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 812, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  G   H2'     26  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  G   H2'     26  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  DG  H2''    26  DG  H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  DG  H2''    26  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 814, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  G   H3'     26  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  G   H21     26  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 830, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  G   H8       6  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 172, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    6  G   H8       6  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  G   H8       6  G   H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 169, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    6  G   H8       6  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 166, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    6  G   H8       6  G   H5''    4.0   5.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 167, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    6  G   H1'      6  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  G   H1'      6  G   H5'     3.0   4.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 166, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    6  G   H2'      6  G   H3'     1.8   3.5       
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  G   H2'      6  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  G   H2'      6  G   H3'     1.8   3.5    
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  DG  H2''     6  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 169, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    6  G   H3'      6  G   H4'     1.8   3.5       
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  G   H21      6  G   H22     1.8   3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  G   H8      13  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 398, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   13  G   H8      13  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  G   H8      13  G   H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 395, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   13  G   H8      13  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 392, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   13  G   H8      13  G   H5''    4.0   5.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 393, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   13  G   H1'     13  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  G   H1'     13  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 392, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   13  G   H2'     13  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  G   H2'     13  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  G   H2'     13  G   H3'     1.8   3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  DG  H2''    13  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 395, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   13  G   H3'     13  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  G   H21     13  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  G   H8      20  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 624, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   20  G   H8      20  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  G   H8      20  G   H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 621, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   20  G   H8      20  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 618, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   20  G   H8      20  G   H5''    4.0   5.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 619, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   20  G   H1'     20  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  G   H1'     20  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 618, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   20  G   H2'     20  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  G   H2'     20  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  G   H2'     20  G   H3'     1.8   3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  DG  H2''    20  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 621, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   20  G   H3'     20  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  G   H21     20  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 637, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  G   H8      27  G   H1'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 850, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   27  G   H8      27  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  G   H8      27  G   H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 847, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   27  G   H8      27  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 844, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   27  G   H8      27  G   H5''    4.0   5.5     
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 845, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   27  G   H1'     27  G   H2'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  G   H1'     27  G   H5'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 844, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   27  G   H2'     27  G   H3'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  G   H2'     27  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  G   H2'     27  G   H3'     1.8   3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  DG  H2''    27  DG  H4'     3.0   4.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 847, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   27  G   H3'     27  G   H4'     1.8   3.5      
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  G   H21     27  G   H22     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    7  DT3 H6       7  DT3 H2'     1.8   3.5       
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    7  DT3 H6       7  DT3 M7      1.8   3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 211, 212, 213,
 /
#
#   14  DT3 H6      14  DT3 H2'     1.8   3.5       
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   14  DT3 H6      14  DT3 M7      1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 437, 438, 439,
 /
#
#   21  DT3 H6      21  DT3 H2'     1.8   3.5       
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   21  DT3 H6      21  DT3 M7      1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 663, 664, 665,
 /
#
#   28  DT3 H6      28  DT3 H2'     1.8   3.5       
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   28  DT3 H6      28  DT3 M7      1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 889, 890, 891,
 /
#
#    2  DT  H6       1  DT5 H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  10, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    9  DT  H6       8  DT5 H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 236, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   16  DT  H6      15  DT5 H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 462, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   23  DT  H6      22  DT5 H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 688, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    7  DT3 H6       6  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 172, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   14  DT3 H6      13  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 398, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   21  DT3 H6      20  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 624, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   28  DT3 H6      27  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 850, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    2  DT  H6       1  DT5 H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  28, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    9  DT  H6       8  DT5 H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 254, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   16  DT  H6      15  DT5 H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 480, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   23  DT  H6      22  DT5 H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 706, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    7  DT3 H6       6  DG  H2'     3.5   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 191, r1= 3.00, r2= 3.50, r3= 4.50, r4= 5.00,  /
#
#   14  DT3 H6      13  DG  H2'     3.5   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 417, r1= 3.00, r2= 3.50, r3= 4.50, r4= 5.00,  /
#
#   21  DT3 H6      20  DG  H2'     3.5   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 643, r1= 3.00, r2= 3.50, r3= 4.50, r4= 5.00,  /
#
#   28  DT3 H6      27  DG  H2'     3.5   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 869, r1= 3.00, r2= 3.50, r3= 4.50, r4= 5.00,  /
#
#    2  DT  H6       1  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  29, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    9  DT  H6       8  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   16  DT  H6      15  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   23  DT  H6      22  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    7  DT3 H6       6  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   14  DT3 H6      13  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   21  DT3 H6      20  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   28  DT3 H6      27  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    3  DA  H8       2  DT  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  42, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   10  DA  H8       9  DT  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 268, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   17  DA  H8      16  DT  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 494, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   24  DA  H8      23  DT  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 720, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    4  DG  H8       3  DA  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  74, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   11  DG  H8      10  DA  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 300, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   18  DG  H8      17  DA  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 526, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   25  DG  H8      24  DA  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 752, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  DG  H8       4  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 106, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  DG  H8      11  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 332, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  DG  H8      18  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 558, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  DG  H8      25  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 784, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    6  DG  H8       5  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 139, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   13  DG  H8      12  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 365, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   20  DG  H8      19  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 591, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   27  DG  H8      26  DG  H1'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 817, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    3  DA  H8       2  DT  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  60, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   10  DA  H8       9  DT  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 286, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   17  DA  H8      16  DT  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 512, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   24  DA  H8      23  DT  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 738, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    4  DG  H8       3  DA  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  92, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   11  DG  H8      10  DA  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 318, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   18  DG  H8      17  DA  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 544, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   25  DG  H8      24  DA  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 770, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    5  DG  H8       4  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 125, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   12  DG  H8      11  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 351, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   19  DG  H8      18  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 577, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   26  DG  H8      25  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 803, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    6  DG  H8       5  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 158, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   13  DG  H8      12  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 384, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   20  DG  H8      19  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 610, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#   27  DG  H8      26  DG  H2'     3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 836, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00,  /
#
#    3  DA  H8       2  DT  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  61, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   10  DA  H8       9  DT  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   17  DA  H8      16  DT  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   24  DA  H8      23  DT  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    4  DG  H8       3  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   11  DG  H8      10  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   18  DG  H8      17  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   25  DG  H8      24  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    5  DG  H8       4  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   12  DG  H8      11  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   19  DG  H8      18  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   26  DG  H8      25  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    6  DG  H8       5  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   13  DG  H8      12  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   20  DG  H8      19  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   27  DG  H8      26  DA  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#    2  DT  M7       1  DT5 H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  48,  49,  50,
 /
#
#    9  DT  M7       8  DT5 H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 274, 275, 276,
 /
#
#   16  DT  M7      15  DT5 H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 500, 501, 502,
 /
#
#   23  DT  M7      22  DT5 H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 726, 727, 728,
 /
#
#    7  DT3 M7       6  DG  H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 211, 212, 213,
 /
#
#   14  DT3 M7      13  DG  H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 437, 438, 439,
 /
#
#   21  DT3 M7      20  DG  H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 663, 664, 665,
 /
#
#   28  DT3 M7      27  DG  H2'     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 889, 890, 891,
 /
#
#    2  DT  M7       1  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  48,  49,  50,
 /
#
#    9  DT  M7       8  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 274, 275, 276,
 /
#
#   16  DT  M7      15  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 500, 501, 502,
 /
#
#   23  DT  M7      22  DT5 H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 726, 727, 728,
 /
#
#    7  DT3 M7       6  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 211, 212, 213,
 /
#
#   14  DT3 M7      13  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 437, 438, 439,
 /
#
#   21  DT3 M7      20  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 663, 664, 665,
 /
#
#   28  DT3 M7      27  DG  H2''    1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 889, 890, 891,
 /
#
#    2  DT  M7       1  DT5 H6      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1=  48,  49,  50,
 /
#
#    9  DT  M7       8  DT5 H6      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1= 274, 275, 276,
 /
#
#   16  DT  M7      15  DT5 H6      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1= 500, 501, 502,
 /
#
#   23  DT  M7      22  DT5 H6      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1= 726, 727, 728,
 /
#
#    7  DT3 M7       6  DG  H8      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1= 211, 212, 213,
 /
#
#   14  DT3 M7      13  DG  H8      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 401, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1= 437, 438, 439,
 /
#
#   21  DT3 M7      20  DG  H8      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 627, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1= 663, 664, 665,
 /
#
#   28  DT3 M7      27  DG  H8      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr1= 889, 890, 891,
 /
#
#    2  DT  H6       1 DT5  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  26, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    9  DT  H6       8 DT5  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 252, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   16  DT  H6      15 DT5  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 478, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   23  DT  H6      22 DT5  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 704, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8       2  DT  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  58, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   10  DA  H8       9  DT  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 284, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   17  DA  H8      16  DT  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 510, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   24  DA  H8      23  DT  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 736, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    4  DG  H8       3  DA  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  90, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   11  DG  H8      10  DA  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 316, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   18  DG  H8      17  DA  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 542, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   25  DG  H8      24  DA  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 768, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    5  DG  H8       4  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 123, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   12  DG  H8      11  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 349, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   19  DG  H8      18  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 575, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   26  DG  H8      25  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 801, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       5  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 156, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   13  DG  H8      12  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 382, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   20  DG  H8      19  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 608, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   27  DG  H8      26  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 834, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    7  DT3 H6       6  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 189, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   14  DT3 H6      13  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 415, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   21  DT3 H6      20  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 641, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#   28  DT3 H6      27  DG  H3'     4.0   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 867, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H8       7  DT3 M7      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr2= 211, 212, 213,
 /
#
#   13  DG  H8      14  DT3 M7      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401,  -1, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr2= 437, 438, 439,
 /
#
#   20  DG  H8      21  DT3 M7      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr2= 663, 664, 665,
 /
#
#   27  DG  H8      28  DT3 M7      3.0   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 853,  -1, r1= 2.50, r2= 3.00, r3= 5.40, r4= 5.90,
 igr2= 889, 890, 891,
 /
#
#    4  DG  N7      11  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 344, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    4  DG  O6      11  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   11  DG  N7      18  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   11  DG  O6      18  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   18  DG  N7      25  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   18  DG  O6      25  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 793, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   25  DG  N7       4  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   25  DG  O6       4  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    5  DG  N7      12  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    5  DG  O6      12  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   12  DG  N7      19  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   12  DG  O6      19  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   19  DG  N7      26  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   19  DG  O6      26  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   26  DG  N7       5  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   26  DG  O6       5  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    6  DG  N7      13  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 410, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    6  DG  O6      13  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 407, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   13  DG  N7      20  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   13  DG  O6      20  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   20  DG  N7      27  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   20  DG  O6      27  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   27  DG  N7       6  DG  H21     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 184, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   27  DG  O6       6  DG  H1      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   10  DA  N1       3  DA  H62     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   10  DA  H2       3  DA  N7      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   17  DA  N1      10  DA  H62     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   17  DA  H2      10  DA  N7      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   24  DA  N1      17  DA  H62     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   24  DA  H2      17  DA  N7      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 530, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    3  DA  N1      24  DA  H62     1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 761, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    3  DA  H2      24  DA  N7      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    1  DT  O4       8  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    2  DT  O4       9  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    7  DT  O4      14  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    8  DT  O4      15  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#    9  DT  O4      16  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   14  DT  O4      21  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   15  DT  O4      22  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   16  DT  O4      23  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   21  DT  O4      28  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   22  DT  O4       1  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 698,  22, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   23  DT  O4       2  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  54, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   28  DT  O4       7  DT  H3      1.8   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 217, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   22  DT5 M7      29  AD1 H25     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 694, 695, 696,
 /
#
#   22  DT  M7      29  AD1 H26     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 694, 695, 696,
 /
#
#   22  DT  M7      29  AD1 H23     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 966, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 694, 695, 696,
 /
#
#   22  DT  H4'     29  AD1 H25     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 968, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   23  DT  M7      29  AD1 H27     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 970, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 726, 727, 728,
 /
#
#   22  DT  H2'     29  AD1 H26     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 969, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DT  H2'     29  AD1 H23     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 966, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DT  H4'     29  AD1 H26     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 969, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   22  DT  H4'     29  AD1 H23     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 966, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8      29  AD1 H23     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 966, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8      29  AD1 H26     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 969, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    3  DA  H8      29  AD1 H25     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 968, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H2''    30  AD2 H25     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 192,1036, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DG  H2''    30  AD2 H23     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 870,1034, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DG  H2''    30  AD2 H26     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 870,1037, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    6  DG  H1      30  AD2 H27     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 181,1038, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DG  H5'     30  AD2 H23     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 844,1034, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   27  DG  H5'     30  AD2 H26     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 844,1037, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    7  DT  H2''    30  AD2 H25     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1036, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   28  DT  H2'     30  AD2 H23     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1034, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#   28  DT  H2'     30  AD2 H26     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1037, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  /
#
#    7  DT  M7      30  AD2 H27     2.5   5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 /
#
#   29  AD1 H26     29  AD1 H28     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   30  AD2 H26     30  AD2 H28     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   29  AD1 H25     29  AD1 H28     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   30  AD2 H25     30  AD2 H28     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   29  AD1 H26     29  AD1 H25     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   30  AD2 H26     30  AD2 H25     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   29  AD1 H9      29  AD1 H10     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   30  AD2 H9      30  AD2 H10     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   29  AD1 H10     29  AD1 H11     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 954, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   30  AD2 H10     30  AD2 H11     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   29  AD1 H11     29  AD1 H15     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   30  AD2 H11     30  AD2 H15     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   29  AD1 H10     29  AD1 H15     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   30  AD2 H10     30  AD2 H15     1.8   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /


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