#
#   23  BEN HC      23  BEN H1            3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   23  BEN HC      23  BEN M31           3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 419, 420, 421,
 &end
#
#   23  BEN M31      8  THY H4'           3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 419, 420, 421,
 &end
#
#   23  BEN M31      9  GUA H1'           4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 419, 420, 421,
 &end
#
#   23  BEN M31      9  GUA H3'           4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 419, 420, 421,
 &end
#
#   23  BEN M31      9  GUA H4'           3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 419, 420, 421,
 &end
#
#   23  BEN M31      9  GUA Q5'           3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 419, 420, 421,
 igr2= 258, 259,
 &end
#
#   23  BEN M31      9  GUA Q5'           4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 419, 420, 421,
 igr2= 258, 259,
 &end
#
#   23  BEN H15     10  CYT H1'           4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 296, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   23  BEN H15     11  ADE H1'           4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 326, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   23  BEN H15     11  ADE H3'           4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 342, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   23  BEN Q16     23  BEN H15           3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H22           2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H12           3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H9            3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16      5  ADE H4'           4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H15           4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H22           3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H12           4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H9            4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16      5  ADE H4'           4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H15           3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H22           3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H12           4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     11  ADE H4'           3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 460, 461,
 &end
#
#   23  BEN H22     23  BEN H12           3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 437, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   23  BEN H14     23  BEN H12           3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 437, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   23  BEN H14      3  GUA H3'           3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  91, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   23  BEN H14      5  ADE H1'           4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 137, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   23  BEN H14      6  THY H1'           4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 169, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   23  BEN H14      6  THY Q5'           2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 163, 164,
 &end
#
#   23  BEN H14      6  THY H6            4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 172, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   23  BEN Q16     23  BEN H15           4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN Q16           2.70
#This appears to be self-referential: ignoring
#
#   23  BEN Q16     23  BEN H22           2.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     23  BEN H14           4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16      9  GUA Q5'           3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 460, 461,
 igr2= 258, 259,
 &end
#
#   23  BEN Q16     10  CYT Q2'           4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 460, 461,
 igr2= 312, 313,
 &end
#
#   23  BEN Q16     10  CYT H4'           3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 460, 461,
 &end
#
#   23  BEN Q16     11  ADE H4'           4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 460, 461,
 &end
#
#   23  BEN H12     23  BEN H9            3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 431, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   23  BEN H12      4  CYT H1'           4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 107, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   23  BEN H12      4  CYT H4'           3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 104, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   23  BEN H12     10  CYT H1'           3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23  BEN M13     23  BEN H15           3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN M13     23  BEN Q16           3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 439, 440, 441,
 igr2= 460, 461,
 &end
#
#   23  BEN M13     23  BEN H22           3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN M13     23  BEN H14           4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN M13     23  BEN H12           2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN M13     23  BEN H9            4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN M13      1  ADE Q5'           3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 439, 440, 441,
 igr2=   4,   5,
 &end
#
#   23  BEN M13      8  THY H4'           4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN M13     10  CYT H1'           3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN M13     10  CYT Q2'           2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 439, 440, 441,
 igr2= 312, 313,
 &end
#
#   23  BEN M13     10  CYT Q2'           3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 439, 440, 441,
 igr2= 312, 313,
 &end
#
#   23  BEN M13     10  CYT H4'           3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 439, 440, 441,
 &end
#
#   23  BEN H9       4  CYT H1'           4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 107, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   23  BEN H9       5  ADE H1'           4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 137, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   23  BEN M20     23  BEN H19           3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 453, 454, 455,
 &end
#
#   23  BEN Q10      1  ADE Q5'           3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 414, 415,
 igr2=   4,   5,
 &end
#
#   23  BEN Q10      3  GUA H8            4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 414, 415,
 &end
#
#    1  ADE H1'      1  ADE H2            3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  22, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#    1  ADE H1'      1  ADE H8            2.73
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
#    1  ADE H1'      2  THY H6            3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  45, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#    1  ADE Q2'      1  ADE H1'           3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  10, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      1  ADE H3'           3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  26, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      1  ADE H4'           3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,   7, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      1  ADE Q5'           4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  28,  29,
 igr2=   4,   5,
 &end
#
#    1  ADE Q2'      1  ADE Q5'           4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=  28,  29,
 igr2=   4,   5,
 &end
#
#    1  ADE Q2'      1  ADE H8            3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      2  THY H6            3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      1  ADE H1'           3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  10, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      1  ADE H3'           3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  26, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      1  ADE H4'           4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,   7, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      1  ADE Q5'           4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=  28,  29,
 igr2=   4,   5,
 &end
#
#    1  ADE Q2'      1  ADE Q5'           4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=  28,  29,
 igr2=   4,   5,
 &end
#
#    1  ADE Q2'      1  ADE H8            3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=  28,  29,
 &end
#
#    1  ADE Q2'      2  THY H6            3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=  28,  29,
 &end
#
#    1  ADE H3'      1  ADE H8            3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#    1  ADE H3'      2  THY H6            3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  45, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#    1  ADE H4'      1  ADE H8            4.68
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  13, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#    1  ADE Q5'      1  ADE H1'           3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  10, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=   4,   5,
 &end
#
#    1  ADE Q5'      1  ADE H3'           3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  26, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=   4,   5,
 &end
#
#    1  ADE Q5'      2  THY H1'           4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   4,   5,
 &end
#
#    1  ADE Q5'      2  THY H6            4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=   4,   5,
 &end
#
#    1  ADE Q5'      1  ADE H3'           2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  26, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr1=   4,   5,
 &end
#
#    1  ADE Q5'      1  ADE H8            3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=   4,   5,
 &end
#
#    7  ADE H1'      7  ADE H8            3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 203, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#    7  ADE Q2'      7  ADE H1'           3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 218, 219,
 &end
#
#    7  ADE Q2'      7  ADE H3'           3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 218, 219,
 &end
#
#    7  ADE Q2'      7  ADE H4'           3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 218, 219,
 &end
#
#    7  ADE Q2'      7  ADE Q5'           4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 218, 219,
 igr2= 194, 195,
 &end
#
#    7  ADE Q2'      7  ADE H8            3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 218, 219,
 &end
#
#    7  ADE Q2'      7  ADE H1'           3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 218, 219,
 &end
#
#    7  ADE Q2'      7  ADE H3'           3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 218, 219,
 &end
#
#    7  ADE Q2'      7  ADE Q5'           3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 218, 219,
 igr2= 194, 195,
 &end
#
#    7  ADE Q2'      7  ADE H8            2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1= 218, 219,
 &end
#
#    7  ADE H3'      7  ADE H1'           4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 200, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#    7  ADE H3'      7  ADE H8            3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 203, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#    7  ADE H3'      8  THY H6            3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 235, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#    7  ADE H4'      7  ADE H1'           3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 200, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#    7  ADE H4'      7  ADE H8            4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 203, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#    7  ADE Q5'      7  ADE H1'           3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 194, 195,
 &end
#
#    7  ADE Q5'      7  ADE H3'           2.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr1= 194, 195,
 &end
#
#    7  ADE Q5'      7  ADE H8            3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 194, 195,
 &end
#
#    2  THY H1'      1  ADE H1'           4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  10, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#    2  THY H1'      2  THY H6            3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  45, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#    2  THY H1'      3  GUA H8            4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  77, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#    2  THY Q2'      2  THY H1'           3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      2  THY H3'           3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      2  THY H6            3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      3  GUA H8            7.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      2  THY H1'           4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      2  THY H3'           3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      2  THY H4'           4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      2  THY H6            3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1=  60,  61,
 &end
#
#    2  THY Q2'      3  GUA H8            3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=  60,  61,
 &end
#
#    2  THY H3'      2  THY H1'           4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  42, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    2  THY H3'      2  THY H6            3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  45, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#    2  THY H4'      1  ADE H1'           3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  10, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#    2  THY H4'      2  THY H1'           3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  42, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#    2  THY H4'      2  THY H6            4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  45, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#    2  THY H4'      3  GUA H4'           2.55
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  71, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
#    2  THY H6       1  ADE H8            4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  13, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#    2  THY M7       1  ADE H2            3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  48,  49,  50,
 &end
#
#    2  THY M7       1  ADE Q2'           4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  48,  49,  50,
 igr2=  28,  29,
 &end
#
#    2  THY M7       1  ADE H3'           3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  26, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=  48,  49,  50,
 &end
#
#    2  THY M7       1  ADE Q5'           4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  48,  49,  50,
 igr2=   4,   5,
 &end
#
#    2  THY M7       1  ADE H8            3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=  48,  49,  50,
 &end
#
#    2  THY M7       2  THY Q2'           4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  48,  49,  50,
 igr2=  60,  61,
 &end
#
#    2  THY M7       2  THY H6            2.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr1=  48,  49,  50,
 &end
#
#    8  THY H1'      8  THY H6            3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 235, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#    8  THY Q2'      8  THY H1'           3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      8  THY H3'           3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      8  THY H4'           3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      8  THY H6            2.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      9  GUA Q5'           4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 250, 251,
 igr2= 258, 259,
 &end
#
#    8  THY Q2'      9  GUA H8            4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      8  THY H1'           3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      8  THY H3'           3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      8  THY H4'           3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      8  THY H6            2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 250, 251,
 &end
#
#    8  THY Q2'      9  GUA Q5'           4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 250, 251,
 igr2= 258, 259,
 &end
#
#    8  THY Q2'      9  GUA H8            4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 250, 251,
 &end
#
#    8  THY H3'      8  THY H1'           4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 232, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#    8  THY H3'      8  THY H3'           3.17
#This appears to be self-referential: ignoring
#
#    8  THY H4'      8  THY H1'           3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 232, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#    8  THY H4'      8  THY Q2'           3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 250, 251,
 &end
#
#    8  THY H4'      8  THY H6            3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 235, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#    8  THY H6       7  ADE H8            3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 203, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#    8  THY M7      23  BEN H1            3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 238, 239, 240,
 &end
#
#    8  THY M7      23  BEN H2            2.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 238, 239, 240,
 &end
#
#    8  THY M7       7  ADE Q2'           4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 238, 239, 240,
 igr2= 218, 219,
 &end
#
#    8  THY M7       7  ADE Q2'           3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 238, 239, 240,
 igr2= 218, 219,
 &end
#
#    8  THY M7       7  ADE H3'           3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 238, 239, 240,
 &end
#
#    8  THY M7       7  ADE Q5'           4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 238, 239, 240,
 igr2= 194, 195,
 &end
#
#    8  THY M7       7  ADE H8            2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 238, 239, 240,
 &end
#
#    8  THY M7       8  THY Q2'           4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 238, 239, 240,
 igr2= 250, 251,
 &end
#
#    8  THY M7       8  THY H4'           4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 238, 239, 240,
 &end
#
#    8  THY M7       8  THY H6            2.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 238, 239, 240,
 &end
#
#    3  GUA H1'      3  GUA H8            4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  77, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#    3  GUA Q2'      3  GUA H4'           4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      3  GUA H8            3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      4  CYT H5            4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      4  CYT H6            4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      3  GUA H1'           3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      3  GUA H3'           3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      3  GUA H4'           4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      3  GUA H8            3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      4  CYT H5            3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=  93,  94,
 &end
#
#    3  GUA Q2'      4  CYT H6            2.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=  93,  94,
 &end
#
#    3  GUA H3'      3  GUA H8            3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  77, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#    3  GUA H4'      3  GUA H1'           3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  74, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#    3  GUA H4'      3  GUA H3'           3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  91, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#    9  GUA H1'      9  GUA H8            3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 267, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#    9  GUA H1'     10  CYT H1'           4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 296, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#    9  GUA H1'     10  CYT H6            3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 299, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#    9  GUA Q2'      9  GUA H1'           3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'      9  GUA H3'           3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'      9  GUA H4'           3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'      9  GUA Q5'           3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 282, 283,
 igr2= 258, 259,
 &end
#
#    9  GUA Q2'      9  GUA H8            3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'     10  CYT H6            3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'      9  GUA H1'           3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'      9  GUA H3'           3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'      9  GUA Q5'           4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 282, 283,
 igr2= 258, 259,
 &end
#
#    9  GUA Q2'      9  GUA H8            2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'     10  CYT H5            4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 282, 283,
 &end
#
#    9  GUA Q2'     10  CYT H6            4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 282, 283,
 &end
#
#    9  GUA H3'      9  GUA H1'           3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 264, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#    9  GUA H3'      9  GUA H8            3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 267, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    9  GUA H3'     10  CYT H5            4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 301, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#    9  GUA H4'     10  THY H4'           2.25
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 293, r1= 1.30, r2= 1.80, r3= 2.25, r4= 2.75,  &end
#
#    9  GUA H4'     10  THY H6            3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 299, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#    9  GUA H4'      9  GUA H3'           2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 280, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#    9  GUA Q5'     23  BEN H15           3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 258, 259,
 &end
#
#    9  GUA Q5'      9  GUA H1'           3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 258, 259,
 &end
#
#    9  GUA Q5'      9  GUA Q5'           3.15
#This appears to be self-referential: ignoring
#
#    9  GUA Q5'      9  GUA H8            4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 258, 259,
 &end
#
#    9  GUA Q5'     10  CYT H1'           4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 258, 259,
 &end
#
#    9  GUA Q5'      8  THY H1'           4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 258, 259,
 &end
#
#    9  GUA Q5'      8  THY H6            4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 258, 259,
 &end
#
#    9  GUA Q5'      9  GUA H3'           3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 258, 259,
 &end
#
#    4  CYT H1'      4  CYT H6            4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 110, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#    4  CYT Q2'      4  CYT H1'           4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 123, 124,
 &end
#
#    4  CYT Q2'      4  CYT H1'           3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 123, 124,
 &end
#
#    4  CYT Q2'      4  CYT H3'           3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 123, 124,
 &end
#
#    4  CYT Q2'      4  CYT H5            4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 123, 124,
 &end
#
#    4  CYT Q2'      4  CYT H6            3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 123, 124,
 &end
#
#    4  CYT Q2'      5  ADE H8            4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 123, 124,
 &end
#
#    4  CYT H3'      4  CYT H1'           4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 107, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#    4  CYT H3'      4  CYT H6            3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 110, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#    4  CYT H3'      5  ADE H3'           4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 153, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#    4  CYT H5       3  GUA H1'           4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  74, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#    4  CYT H5       3  GUA H8            4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  77, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#    4  CYT H5       4  CYT H6            3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 110, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   10  CYT H1'     10  CYT H6            4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 299, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   10  CYT H1'     23  BEN H12           4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 437, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   10  CYT Q2'     10  CYT H1'           3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 312, 313,
 &end
#
#   10  CYT Q2'     23  BEN H12           3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 312, 313,
 &end
#
#   10  CYT Q2'     23  BEN H9            4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 312, 313,
 &end
#
#   10  CYT Q2'     10  CYT H1'           3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 312, 313,
 &end
#
#   10  CYT Q2'     10  CYT H4'           4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 312, 313,
 &end
#
#   10  CYT Q2'     10  CYT H5            3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 312, 313,
 &end
#
#   10  CYT Q2'     10  CYT H6            4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 312, 313,
 &end
#
#   10  CYT Q2'     11  ADE H8            4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 312, 313,
 &end
#
#   10  CYT H4'     23  BEN H15           4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 458, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   10  CYT H4'     10  CYT H1'           3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 296, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   10  CYT H4'     10  CYT H6            4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 299, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   10  CYT H4'     11  ADE H3'           3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 342, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   10  CYT H4'     11  ADE H4'           2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 323, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#   10  CYT H5       9  GUA H8            3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 267, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   10  CYT H5      10  CYT H6            3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 299, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#   10  CYT H6       9  GUA H8            4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 267, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#    5  ADE H1'      5  ADE H8            3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 140, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#    5  ADE H1'      6  THY H6            3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 172, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#    5  ADE Q2'      5  ADE H1'           3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      5  ADE H3'           3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      5  ADE Q5'           4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 155, 156,
 igr2= 131, 132,
 &end
#
#    5  ADE Q2'      5  ADE H8            2.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      6  THY H3'           4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      6  THY H6            3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      5  ADE H1'           3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      5  ADE H3'           3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      5  ADE Q5'           4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 155, 156,
 igr2= 131, 132,
 &end
#
#    5  ADE Q2'      5  ADE H8            2.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      6  THY H3'           4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 155, 156,
 &end
#
#    5  ADE Q2'      6  THY H6            3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 155, 156,
 &end
#
#    5  ADE H3'     23  BEN H9            4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 431, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#    5  ADE H3'      5  ADE H1'           3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 137, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#    5  ADE H3'      5  ADE H8            2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 140, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    5  ADE H3'      6  THY H6            3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#    5  ADE H4'     23  BEN H9            3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 431, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    5  ADE H4'      5  ADE H8            3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 140, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#    5  ADE Q5'     23  BEN H9            4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'      5  ADE H3'           3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'      5  ADE H4'           2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'      5  ADE H8            4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'     23  BEN H15           4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'     23  BEN H9            3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'      5  ADE H1'           4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'      5  ADE H3'           3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'      5  ADE H4'           2.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 131, 132,
 &end
#
#    5  ADE Q5'      5  ADE H8            4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 131, 132,
 &end
#
#   11  ADE H1'     11  ADE H2            3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 338, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   11  ADE H1'     11  ADE H8            4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 329, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   11  ADE H1'     12  THY H6            3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 361, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   11  ADE Q2'     11  ADE H1'           3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     11  ADE H3'           3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     11  ADE H4'           4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     11  ADE H8            3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     12  THY H6            3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     11  ADE H1'           3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     11  ADE H3'           3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     11  ADE H4'           4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     11  ADE H8            3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 344, 345,
 &end
#
#   11  ADE Q2'     12  THY H6            4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 344, 345,
 &end
#
#   11  ADE H3'     11  ADE H1'           3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 326, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   11  ADE H3'     11  ADE H8            4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 329, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   11  ADE H3'     12  THY H6            4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   11  ADE H4'     11  ADE H1'           3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 326, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   11  ADE H4'     11  ADE H3'           3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 342, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   11  ADE H4'     12  THY H1'           3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 358, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   11  ADE H4'     12  THY H6            3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 361, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   11  ADE Q5'     11  ADE H4'           3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 320, 321,
 &end
#
#   11  ADE Q5'     12  THY H1'           4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 321,
 &end
#
#   11  ADE Q5'     12  THY H6            4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 320, 321,
 &end
#
#    6  THY H1'      6  THY H6            3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 172, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#    6  THY Q2'      6  THY H1'           3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 187, 188,
 &end
#
#    6  THY Q2'      6  THY H6            3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 187, 188,
 &end
#
#    6  THY Q2'      6  THY H3'           3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 187, 188,
 &end
#
#    6  THY Q2'      6  THY H6            3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 187, 188,
 &end
#
#    6  THY H3'      5  ADE H1'           3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 137, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#    6  THY H3'      5  ADE H3'           2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 153, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#    6  THY H3'      6  THY H1'           3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 169, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#    6  THY H3'      6  THY Q2'           3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 187, 188,
 &end
#
#    6  THY Q5'      5  ADE H1'           4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      5  ADE H3'           4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      6  THY H1'           4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      6  THY H3'           3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      6  THY H6            4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      5  ADE H1'           4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      6  THY H1'           3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      6  THY H3'           3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      6  THY H6            3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 163, 164,
 &end
#
#    6  THY Q5'      6  THY H6            3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 163, 164,
 &end
#
#    6  THY H6       5  ADE H8            3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 140, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#    6  THY H7       5  ADE H1'           4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 175, 176, 177,
 &end
#
#    6  THY H7       5  ADE H2            4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 175, 176, 177,
 &end
#
#    6  THY H7       5  ADE Q2'           3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 175, 176, 177,
 igr2= 155, 156,
 &end
#
#    6  THY H7       5  ADE Q2'           3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 175, 176, 177,
 igr2= 155, 156,
 &end
#
#    6  THY H7       5  ADE H3'           4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 175, 176, 177,
 &end
#
#    6  THY H7       5  ADE H8            2.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 175, 176, 177,
 &end
#
#    6  THY H7       6  THY H1'           4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 175, 176, 177,
 &end
#
#    6  THY H7       6  THY Q2'           4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 175, 176, 177,
 igr2= 187, 188,
 &end
#
#    6  THY H7       6  THY H3'           4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 175, 176, 177,
 &end
#
#    6  THY H7       6  THY H6            2.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 175, 176, 177,
 &end
#
#   12  THY H1'     12  THY H6            3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 361, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   12  THY Q2'     12  THY H1'           3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 376, 377,
 &end
#
#   12  THY Q2'     12  THY Q5'           4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 376, 377,
 igr2= 352, 353,
 &end
#
#   12  THY Q2'     12  THY H6            2.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 376, 377,
 &end
#
#   12  THY H4'     11  ADE H1'           4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 326, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   12  THY H4'     11  ADE H3'           4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 342, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   12  THY H4'     11  ADE H4'           3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 323, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   12  THY H4'     12  THY H1'           3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 358, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12  THY H4'     12  THY H6            4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 361, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   12  THY Q5'     11  ADE H1'           4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 352, 353,
 &end
#
#   12  THY Q5'     12  THY H1'           4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 352, 353,
 &end
#
#   12  THY Q5'     12  THY H6            4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 352, 353,
 &end
#
#   12  THY H7      11  ADE H1'           3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 364, 365, 366,
 &end
#
#   12  THY H7      11  ADE Q2'           3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 364, 365, 366,
 igr2= 344, 345,
 &end
#
#   12  THY H7      11  ADE Q2'           3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 364, 365, 366,
 igr2= 344, 345,
 &end
#
#   12  THY H7      11  ADE H3'           4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 364, 365, 366,
 &end
#
#   12  THY H7      11  ADE H8            3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 364, 365, 366,
 &end
#
#   12  THY H7      11  ADE Q2'           4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 364, 365, 366,
 igr2= 344, 345,
 &end
#
#   12  THY H7      11  ADE H2            2.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1= 364, 365, 366,
 &end
