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
615508 5mbr 34062 cing 1-original 1 AMBER distance NOE simple


# Restraints file 1: HT_RST
##NOE derived distances

#
#    1  THY H1'     20  ADE H2            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  10, 639, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50, 
      rk2=50.0, rk3=50.0, ir6=1,  ialtd=0, 
 &end
##
#    1  THY H2'     20  ADE H2            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  28, 639, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    1  THY H2''    20  ADE H2            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  29, 639, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    1  THY H4'     20  ADE H2            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=   7, 639, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    1  THY H4'      9  2FG H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=   7, 284, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    1  THY H6       2  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2=  48,  49,  50,
 &end
#
#    2  THY H1'      3  2FG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  89, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  THY H3'      3  2FG H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  89, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    2  THY H6       3  2FG H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  89, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    3  2FG H1'      4  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 110, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3  2FG H8       2  THY H2'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  60, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    3  2FG H8       2  THY H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  61, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  2FG H8       2  THY H5'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  36, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    3  2FG H8       2  THY H5''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  37, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    3  2FG H8       4  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 110, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    4  GUA H1'      5  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 143, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  GUA H8       3  2FG H2'2          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  80, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  GUA H8       5  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 143, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    5  GUA H8       4  GUA 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,  &end
#
#    5  GUA H8       4  GUA H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 127, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  GUA H1'      7  THY H7            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 2.50, r2= 3.00, r3= 8.41, r4= 8.91,
 igr2= 211, 212, 213,
 &end
#
#    6  THY H1'      8  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 240, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    7  THY H1'      6  THY H7            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 2.50, r2= 3.00, r3= 8.41, r4= 8.91,
 igr2= 179, 180, 181,
 &end
#
#    7  THY H1'      8  ADE H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 240, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    7  THY H6       8  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 240, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    8  ADE H8       6  THY H2'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 191, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    8  ADE H8       6  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 192, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    8  ADE H8       7  THY H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 223, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    8  ADE H8       7  THY H2''          3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 224, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    8  ADE H2       6  THY H7            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2= 179, 180, 181,
 &end
#
#    9  2FG H3'     10  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 305, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    9  2FG H8       8  ADE H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 256, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    9  2FG H8       1  THY H7            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2=  16,  17,  18,
 &end
#
#    9  2FG H8       2  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2=  48,  49,  50,
 &end
#
#    9  2FG H8      10  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 305, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   10  GUA H8       9  2FG H2'2          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 275, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  GUA H1'     11  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 338, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  GUA H3'     11  GUA H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 338, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   10  GUA H8       7  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2= 211, 212, 213,
 &end
#
#   10  GUA H8      11  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 338, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   11  GUA H1'     12  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 371, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   11  GUA H8      10  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 321, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   11  GUA H8      10  GUA H2''          3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 322, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   11  GUA H8      12  THY H7            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2= 374, 375, 376,
 &end
#
#   12  THY H6      11  GUA H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 354, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   12  THY H6      11  GUA H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 355, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   13  THY H1'     14  ADE H5''          2.8    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 427, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,  &end
#
#   13  THY H1'     14  ADE H5'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 426, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   13  THY H1'     14  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 435, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  THY H1'     15  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 467, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   13  THY H3'     14  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 435, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   13  THY H2'     14  ADE H5'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 426, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   13  THY H2''    14  ADE H5'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 426, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   13  THY H6      14  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 435, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   14  ADE H8      13  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 418, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H8      13  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H8      17  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 533, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   17  GUA H8      18  THY H7            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2= 569, 570, 571,
 &end
#
#   18  THY H6      17  GUA H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 549, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   18  THY H6      17  GUA H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 550, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   18  THY H6      19  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2= 601, 602, 603,
 &end
#
#   19  THY H1'     20  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 630, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   19  THY H3'     20  ADE H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 630, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   19  THY H6      18  THY H2'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 581, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   19  THY H6      18  THY H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 582, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   20  ADE H1'     21  2FG H1'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 662, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   20  ADE H1'     21  2FG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 674, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   20  ADE H2      21  2FG H1'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 662, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   20  ADE H2       1  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  13, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   20  ADE H8      19  THY H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 613, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   20  ADE H8      19  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 614, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   20  ADE H3'     21  2FG H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 674, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   20  ADE H8      21  2FG H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 674, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   21  2FG H1'     22  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 695, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  2FG H8      20  ADE H2'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 645, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   21  2FG H8      20  ADE H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 646, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  2FG H8      22  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 695, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   22  GUA H3'     23  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 728, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   22  GUA H8      21  2FG H2'2          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 665, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H1'     23  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 728, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   23  GUA H8      22  GUA H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 711, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   23  GUA H8      22  GUA H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 712, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   23  GUA H1'     24  ADE H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 761, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   23  GUA H3'     24  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 761, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   24  ADE H8      23  GUA H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 744, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   24  ADE H8      23  GUA H2''          3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 745, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    1  THY H1'      1  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  28, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  THY H1'      1  THY H2''          1.4    4.4 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  29, r1= 0.90, r2= 1.40, r3= 4.40, r4= 4.90,  &end
#
#    1  THY H1'      1  THY H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  26, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    1  THY H1'      1  THY H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,   7, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  THY H3'      1  THY H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  28, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    1  THY H3'      1  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  29, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    1  THY H3'      1  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  THY H4'      1  THY H6            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  13, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    1  THY H5'      1  THY H6            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  13, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    1  THY H5''     1  THY H6            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  13, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    1  THY H6       1  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  28, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  THY H6       1  THY H2''          4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  29, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    1  THY H1'      1  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  THY H2'      1  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  29, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    1  THY H6       1  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  16,  17,  18,
 &end
#
#    2  THY H1'      2  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  60, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  THY H1'      2  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2  THY H1'      2  THY H4'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  39, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    2  THY H1'      2  THY H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2  THY H3'      2  THY H6            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  45, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    2  THY H4'      2  THY H5'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  36, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  THY H4'      2  THY H5''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  37, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  THY H4'      2  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  45, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    2  THY H5''     2  THY H5'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  36, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2  THY H6       2  THY H2'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  60, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    2  THY H6       2  THY H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  61, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    2  THY H6       2  THY H5'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  36, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    2  THY H6       2  THY H5''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  37, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    2  THY H6       2  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  48,  49,  50,
 &end
#
#    3  2FG H1'      3  2FG H2'2          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  80, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  2FG H1'      3  2FG H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  69, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    3  2FG H1'      3  2FG H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  71, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  2FG H1'      3  2FG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  89, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  2FG H3'      3  2FG H2'2          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3  2FG H3'      3  2FG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  89, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  2FG H4'      3  2FG H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  89, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    3  2FG H8       3  2FG H2'2          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4  GUA H1'      4  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 126, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  GUA H1'      4  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4  GUA H1'      4  GUA H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 124, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4  GUA H1'      4  GUA H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 104, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  GUA H1'      4  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 110, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4  GUA H3'      4  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 110, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    4  GUA H4'      4  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 110, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  GUA H8       4  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 126, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  GUA H8       4  GUA H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 127, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    5  GUA H1'      5  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 159, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  GUA H1'      5  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 160, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5  GUA H1'      5  GUA H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 137, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  GUA H1'      5  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 143, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  GUA H3'      5  GUA H1'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 140, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    5  GUA H3'      5  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 143, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  GUA H4'      5  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 143, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    5  GUA H8       5  GUA 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,  &end
#
#    5  GUA H8       5  GUA 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,  &end
#
#    6  THY H1'      6  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 191, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    6  THY H1'      6  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6  THY H1'      6  THY H4'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 170, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    6  THY H1'      6  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 176, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    6  THY H2'      6  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6  THY H4'      6  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 176, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    6  THY H6       6  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 192, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    6  THY H6       6  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 179, 180, 181,
 &end
#
#    7  THY H1'      7  THY H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 208, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7  THY H6       7  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 211, 212, 213,
 &end
#
#    7  THY H1'      7  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 223, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    7  THY H1'      7  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#

#    7  THY H1'      7  THY H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 202, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    7  THY H3'      7  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 208, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    7  THY H4'      7  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 208, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    7  THY H6       7  THY H2'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 223, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    7  THY H6       7  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 224, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    8  ADE H1'      8  ADE H2            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 249, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    8  ADE H1'      8  ADE H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 255, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  ADE H1'      8  ADE H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8  ADE H1'      8  ADE H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 253, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  ADE H1'      8  ADE H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 234, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  ADE H1'      8  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 240, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  ADE H2'      8  ADE H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 256, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8  ADE H3'      8  ADE H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8  ADE H3'      8  ADE H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 256, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8  ADE H3'      8  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 240, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  ADE H4'      8  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 240, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    8  ADE H8       8  ADE H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8  ADE H8       8  ADE H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 256, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    9  2FG H1'      9  2FG H2'2          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9  2FG H1'      9  2FG H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 266, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    9  2FG H1'      9  2FG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 284, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    9  2FG H3'      9  2FG H2'2          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9  2FG H3'      9  2FG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 284, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    9  2FG H4'      9  2FG H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 284, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    9  2FG H8       9  2FG H2'2          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10  GUA H1'     10  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10  GUA H1'     10  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 321, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  GUA H1'     10  GUA H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 319, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   10  GUA H1'     10  GUA H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 299, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  GUA H1'     10  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 305, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  GUA H3'     10  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 305, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  GUA H4'     10  GUA H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 305, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   10  GUA H8      10  GUA H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10  GUA H8      10  GUA H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 322, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   11  GUA H1'     11  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 354, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   11  GUA H1'     11  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11  GUA H1'     11  GUA H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 332, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   11  GUA H1'     11  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 338, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   11  GUA H3'     11  GUA H1'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 335, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   11  GUA H3'     11  GUA H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11  GUA H3'     11  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11  GUA H3'     11  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 338, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   11  GUA H4'     11  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 338, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   11  GUA H8      11  GUA H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11  GUA H8      11  GUA H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  THY H1'     12  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 386, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  THY H1'     12  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12  THY H1'     12  THY H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 384, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   12  THY H1'     12  THY H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 365, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  THY H1'     12  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 371, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  THY H3'     12  THY H6            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 371, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   12  THY H4'     12  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 371, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   12  THY H6      12  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 386, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  THY H6      12  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 387, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   12  THY H6      12  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 374, 375, 376,
 &end
#
#   13  THY H1'     13  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 418, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  THY H1'     13  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13  THY H1'     13  THY H4'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 397, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   13  THY H1'     13  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 403, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  THY H2'     13  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13  THY H3'     13  THY H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 418, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13  THY H3'     13  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13  THY H3'     13  THY H6            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 403, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#
#   13  THY H4'     13  THY H5'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 394, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  THY H4'     13  THY H5''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 395, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  THY H4'     13  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 403, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   13  THY H5'     13  THY H5''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 395, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13  THY H6      13  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 418, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  THY H6      13  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 419, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   13  THY H6      13  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 406, 407, 408,
 &end
#
#   14  ADE H1'     14  ADE H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 450,  r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H1'     14  ADE H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 451, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H1'     14  ADE H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 448, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#
#   14  ADE H1'     14  ADE H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 435, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   14  ADE H3'     14  ADE H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 450, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14  ADE H3'     14  ADE H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 451, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14  ADE H3'     14  ADE H5'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 426, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   14  ADE H3'     14  ADE H5''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 427, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H3'     14  ADE H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 435, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   14  ADE H4'     14  ADE H5'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 426, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H4'     14  ADE H5''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 427, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H4'     14  ADE H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 435, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   14  ADE H5'     14  ADE H5''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14  ADE H8      14  ADE H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 450, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H8      14  ADE H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 451, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   14  ADE H8      14  ADE H5'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 426, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  ADE H8      14  ADE H5''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 427, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   15  GUA H1'     15  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 483, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   15  GUA H1'     15  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 484, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15  GUA H1'     15  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 467, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15  GUA H2'     15  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 484, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15  GUA H8      15  GUA H2'           4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 483, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   15  GUA H8      15  GUA H2''          4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 484, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   16  GUA H1'     16  GUA H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 516, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H1'     16  GUA H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 517, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   16  GUA H1'     16  GUA H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 514, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   16  GUA H1'     16  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 500, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H2'     16  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 517, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H3'     16  GUA H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 516, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H3'     16  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 517, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H3'     16  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 500, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   16  GUA H8      16  GUA H2'           4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 516, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   16  GUA H8      16  GUA H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 517, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   17  GUA H1'     17  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 549, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   17  GUA H1'     17  GUA H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 550, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   17  GUA H1'     17  GUA H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 547, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   17  GUA H1'     17  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 533, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H2'     17  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 550, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H3'     17  GUA H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H3'     17  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 550, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H3'     17  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 533, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   17  GUA H8      17  GUA H2''          4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 550, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   17  GUA H8      17  GUA H2'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 549, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   18  THY H1'     18  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 581, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   18  THY H1'     18  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18  THY H1'     18  THY H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 566, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18  THY H2'     18  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18  THY H3'     18  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 566, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   18  THY H6      18  THY H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 581, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   18  THY H6      18  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 582, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   18  THY H6      18  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 569, 570, 571,
 &end
#
#   19  THY H1'     19  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 613, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   19  THY H1'     19  THY H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 614, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   19  THY H1'     19  THY H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 611, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   19  THY H1'     19  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 598, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   19  THY H2'     19  THY H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 614, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19  THY H3'     19  THY H6            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 598, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   19  THY H6      19  THY H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 613, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   19  THY H6      19  THY H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 614, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   19  THY H6      19  THY H7            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 601, 602, 603,
 &end
#
#   20  ADE H1'     20  ADE H2            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 639, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   20  ADE H1'     20  ADE H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 645, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   20  ADE H1'     20  ADE H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 646, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   20  ADE H1'     20  ADE H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 643, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   20  ADE H1'     20  ADE H4'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 624, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   20  ADE H3'     20  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 630, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   20  ADE H4'     20  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 630, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   20  ADE H8      20  ADE H2'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20  ADE H8      20  ADE H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 646, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   20  ADE H1'     20  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 630, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  2FG H1'     21  2FG H2'2          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 665, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  2FG H1'     21  2FG H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 654, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   21  2FG H1'     21  2FG H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 674, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   21  2FG H3'     21  2FG H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 674, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   21  2FG H8      21  2FG H2'2          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 665, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H1'     22  GUA H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 711, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   22  GUA H1'     22  GUA H2''          2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 712, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H1'     22  GUA H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 709, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   22  GUA H1'     22  GUA H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 689, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H1'     22  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 695, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H3'     22  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 695, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   22  GUA H4'     22  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 695, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   22  GUA H8      22  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 711, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H8      22  GUA H2''          3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 712, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   23  GUA H1'     23  GUA H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 744, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   23  GUA H1'     23  GUA H2''          1.0    3.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 745, r1= 0.50, r2= 1.00, r3= 3.20, r4= 3.70,  &end
#
#   23  GUA H1'     23  GUA H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 728, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   23  GUA H2'     23  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 745, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23  GUA H3'     23  GUA H1'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 725, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   23  GUA H3'     23  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 728, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   23  GUA H8      23  GUA H2'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 744, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   23  GUA H8      23  GUA 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,  &end
#
#   24  ADE H1'     24  ADE H2'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 776, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   24  ADE H1'     24  ADE H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 777, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24  ADE H1'     24  ADE H2            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 770, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   24  ADE H1'     24  ADE H3'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 774, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   24  ADE H1'     24  ADE H4'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 755, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   24  ADE H1'     24  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 761, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   24  ADE H2'     24  ADE H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 777, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24  ADE H3'     24  ADE H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 761, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   24  ADE H8      24  ADE 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,  &end
#
#   24  ADE H8      24  ADE H2''          3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 777, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    3  2FG H1       4  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 116, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    3  2FG H1       1  THY H1'           4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  10, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#    3  2FG H1       1  THY H7            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 4.30, r2= 4.80, r3= 8.65, r4= 9.15,
 igr2=  16,  17,  18,
 &end
#
#    3  2FG H1       2  THY H7            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 3.30, r2= 3.80, r3= 7.45, r4= 7.95,
 igr2=  48,  49,  50,
 &end
#
#    3  2FG H1       9  2FG H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 284, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#    4  GUA H1       5  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 149, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    4  GUA H1       9  2FG H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 284, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#    4  GUA H1      10  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 305, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#

#
#    5  GUA H1      13  THY H6            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 403, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#    5  GUA H1      10  GUA H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 305, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#    5  GUA H1      13  THY H7            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 3.30, r2= 3.80, r3= 7.45, r4= 7.95,
 igr2= 406, 407, 408,
 &end
#
#    5  GUA H1      11  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 338, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#    9  2FG H1      10  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 311, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    9  2FG H1      17  GUA H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 539, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#    9  2FG H1       1  THY H7            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 4.30, r2= 4.80, r3= 8.65, r4= 9.15,
 igr2=  16,  17,  18,
 &end
#
#    9  2FG H1      18  THY H7            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 4.30, r2= 4.80, r3= 8.65, r4= 9.15,
 igr2= 569, 570, 571,
 &end
#
#    9  2FG H1      17  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 533, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   10  GUA H1      11  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 344, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#
#   10  GUA H1      16  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 500, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   10  GUA H1      17  GUA H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 533, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   11  GUA H1      13  THY H2''          4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 419, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   11  GUA H1      14  ADE H5'           4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 426, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   11  GUA H1      14  ADE H5''          4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 427, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   11  GUA H1      15  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 467, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   11  GUA H1      16  GUA H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 500, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   15  GUA H1      16  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 506, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   15  GUA H1      14  ADE H1'           4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 432, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   15  GUA H1      14  ADE H8           4.8    7.2
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 435, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   15  GUA H1      22  GUA H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 695, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   15  GUA H1      23  GUA H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 728, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   16  GUA H1      17  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 539, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   16  GUA H1      15  GUA H2'           4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 483, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   16  GUA H1      15  GUA H2''          4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 484, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   16  GUA H1      21  2FG H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 674, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   16  GUA H1      22  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 695, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   17  GUA H1      21  2FG H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 680, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   17  GUA H1      16  GUA H2'           4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 516, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   17  GUA H1      16  GUA H2''          4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 517, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   17  GUA H1      20  ADE H2            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 639, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   17  GUA H1      20  ADE H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 630, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   17  GUA H1      21  2FG H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 674, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   21  2FG H1       3  2FG H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  89, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   21  2FG H1      22  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 701, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   21  2FG H1      20  ADE H2            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 639, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   22  GUA H1       3  2FG H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  89, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   22  GUA H1       4  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 110, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   23  GUA H1      22  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 701, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   23  GUA H1      24  ADE H2            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 770, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   23  GUA H1       4  GUA H8            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 110, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   23  GUA H1       5  GUA H8            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 143, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   24  ADE H8      14  ADE H2            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 444, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#   24  ADE H8      23  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 728, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    5  GUA H1      24  ADE H2            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 770, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#   13  THY H6      11  GUA H8            4.5    7.5 
# &rst
#  ixpk= 0, nxpk= 0, iat= 403, 338, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    8  ADE H2      10  GUA H8            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 305, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#    7  THY H1'      6  THY H7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 3.50, r2= 4.00, r3= 8.41, r4= 8.91,
 igr2= 179, 180, 181,
 &end
#
#   24  ADE H2       5  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 143, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   14  ADE H8      13  THY H7            4.5    7.5 
# &rst
#  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
# igr2= 406, 407, 408,
# &end
#
#   24  ADE H2      13  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2= 406, 407, 408,
 &end
#
#   11  GUA H8      13  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 406, 407, 408,
 &end
#
#   19  THY H6       1  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2=  16,  17,  18,
 &end
#
#    9  2FG H1'      1  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2=  16,  17,  18,
 &end
#
#   18  THY H1'     18  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2= 569, 570, 571,
 &end
#
#   17  GUA H1'     18  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2= 569, 570, 571,
 &end
#
#   12  THY H7      11  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr1= 374, 375, 376,
 &end
#
#    8  ADE H2       6  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 176, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   16  GUA H1'     15  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 467, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   21  2FG H1'     21  2FG H4'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21  2FG H8      21  2FG H4'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 656, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    5  GUA H8       4  GUA H3'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 124, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    4  GUA H8       3  2FG H4'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  71, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   17  GUA H1'     17  GUA H4'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8  ADE H8       5  GUA H4'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 137, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    8  ADE H8       7  THY H4'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 202, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   13  THY H6      12  THY H2''          4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 387, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   13  THY H6      11  GUA H1'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 335, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   19  THY H7      18  THY H1'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr1= 601, 602, 603,
 &end
#
#    1  THY Q5'      2  THY H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 4.00, r2= 4.50, r3= 8.42, r4= 8.92,
 igr1=   4,   5,
 &end
#
#    1  THY Q5'      9  2FG H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 284, r1= 2.50, r2= 3.00, r3= 7.86, r4= 8.36,
 igr1=   4,   5,
 &end
#
#    2  THY H7       1  THY Q5'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 9.44, r4= 9.94,
 igr1=  48,  49,  50,
 igr2=   4,   5,
 &end
#
#   13  THY H1'     11  GUA Q5'           3.5    6.5 
# &rst
#  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
# igr2= 329, 330,
# &end
#
#   13  THY H1'     11  GUA Q5'           4.5    7.5 
# &rst
#  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 4.00, r2= 4.50, r3= 8.42, r4= 8.92,
# igr2= 329, 330,
# &end
#
#    1  THY H2'      1  THY Q5'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  -1, r1= 2.50, r2= 3.00, r3= 7.86, r4= 8.36,
 igr2=   4,   5,
 &end
#

#   13  THY H6      13  THY Q5'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 2.00, r2= 2.50, r3= 6.17, r4= 6.67,
 igr2= 394, 395,
 &end
#
#   13  THY H6      13  THY Q5'           3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2= 394, 395,
 &end

#
#   12  THY H6      11  GUA H3'           3.0    7.0 
  &rst
  ixpk= 0, nxpk= 0, iat= 371, 352, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   12  THY H3'     11  GUA H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 335, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  THY H3'     13  THY H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 403, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   11  GUA H1'     12  THY H4'           4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 365, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   12  THY H7      12  THY H4'           4.5    7.5 
# &rst
#  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
# igr1= 374, 375, 376,
# &end
#
#   12  THY H7      11  GUA H4'           4.5    7.5 
  &rst
   ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
  igr1= 374, 375, 376,
  &end
#
#   13  THY H6      12  THY H1'           4.5    7.5 
  &rst
   ixpk= 0, nxpk= 0, iat= 403, 368, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   13  THY H6      12  THY H4'           3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 365, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#



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