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
541943 2lod 18209 cing 1-original 1 AMBER distance NOE simple


#NOE RESTRAINTS
# 1   DG  H1'  1  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, 
      rk2=60.0, rk3=60.0, ir6=1, ialtd=0, nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H1'  2  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H2'  1  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H2'  1  DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  27, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H2'  1  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H2'' 1  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H2'' 1  DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  27, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H2'' 1  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H2'' 2  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H3'  1  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H3'  1  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H3'  2  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H4'  1  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H4'  1  DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  27, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H1'  1  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H1'  2  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H1'  3  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  79, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H2'  2  DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  43, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H2'  2  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H2'' 2  DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  43, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H2'' 2  DG    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  62, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H3'  2  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  43, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H4'  1  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H4'  1  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H4'  2  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  43, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H1'  3  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  79, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H1'  5  DT    H6    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 144, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H2'  3  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  76, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H2'  3  DG    H2''  1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  96, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H2'' 3  DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  76, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H2'' 3  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  79, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H3'  3  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  76, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H3'  4  DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 112, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H1'  4  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 112, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H2'' 4  DA    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 125, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H3'  4  DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 109, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H3'  4  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 112, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H3'  5  DT    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 144, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H4'  4  DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 109, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H4'  4  DA    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 125, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H4'  5  DT    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 144, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 4   DA  H5'  4  DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 106, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H1'  5  DT    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 144, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H2'' 5  DT    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 141, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H2'' 5  DT    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 138, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H2'' 5  DT    H6    1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 144, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H3'  5  DT    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 141, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H3'  5  DT    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 144, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H4'  1  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H4'  5  DT    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 141, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H4'  5  DT    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 157, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H4'  5  DT    H6    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 144, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H5'  5  DT    H4'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 138, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H5'' 5  DT    H4'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 138, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H7   4  DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 147, 148, 149,
   nstep1=30000, nstep2=100000,   &end
#
# 5   DT  H7   5  DT    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 147, 148, 149,
   nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H1'  6  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H1'  7  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 209, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H2'  6  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H2'  6  DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 190, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H2'  6  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H2'  7  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 209, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H2'' 6  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H2'' 7  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 209, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H3'  5  DT    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 141, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H3'  5  DT    H6    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 144, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H3'  6  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H3'  6  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 176, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H3'  7  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 209, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H4'  6  DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 173, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H4'  6  DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 190, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H1'  6  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H1'  7  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 209, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H2'  7  DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 206, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H2'  7  DG    H8    1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 209, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H2'  8  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 242, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H3'  7  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 206, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H3'  7  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 209, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H3'  8  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 242, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H4'  7  DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 223, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H1'  8  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 242, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H1'  9  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 275, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'  8  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 239, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'  8  DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'  8  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 242, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'  9  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 275, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'' 8  DG    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 258, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'' 8  DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'' 8  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 242, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H2'' 9  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 275, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H3'  8  DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 239, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H3'  8  DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 242, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H4'  8  DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 256, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H1'  9  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 275, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'  9  DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'  9  DA    H2''  1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 291, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'  9  DA    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 288, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'  9  DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 269, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'  9  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 275, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'' 9  DA    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 272, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'' 9  DA    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 288, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'' 9  DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 269, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H2'' 9  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 275, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H3'  9  DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 275, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H3'  10 DC    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 304, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H3'  11 DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 337, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H4'  9  DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H4'  9  DA    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 288, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H4'  10 DC    H6    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 307, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H5'  9  DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 269, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 9   DA  H5'' 9  DA    H4'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 269, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H1'  10 DC    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 307, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H2'  10 DC    H2''  1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 321, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H2'  11 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H2'' 10 DC    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 320, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H2'' 10 DC    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 318, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H3'  11 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H4'  10 DC    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 318, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H5   10 DC    H6    1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 307, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H1'  11 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H1'  12 DC    H6    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 369, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H2'  11 DA    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 350, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H2'  11 DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 331, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H2'  11 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H2'' 11 DA    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 334, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H2'' 11 DA    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 350, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H2'' 11 DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 331, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H2'' 22 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 691, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H3'  11 DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 334, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H3'  11 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H3'  12 DC    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 369, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H4'  11 DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 334, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H4'  11 DA    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 350, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H4'  11 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H5'  11 DA    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 350, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H5'  11 DA    H4'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 331, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H5'' 11 DA    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 350, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 11  DA  H5'' 11 DA    H4'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H1'  12 DC    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 369, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H1'  13 DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 399, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H2'  12 DC    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 366, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H2'  12 DC    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 380, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H2'  13 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 399, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H2'' 12 DC    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 366, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H2'' 12 DC    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 382, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H2'' 12 DC    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 380, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H2'' 12 DC    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 369, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H3'  12 DC    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 366, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H3'  12 DC    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 369, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H3'  13 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 399, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H4'  12 DC    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 380, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H5   12 DC    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 369, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 13  DA  H1'  13 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 399, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 13  DA  H2'  13 DA    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 396, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 13  DA  H2'  13 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 399, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 13  DA  H2'' 13 DA    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 396, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 13  DA  H2'' 13 DA    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 414, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 13  DA  H2'' 13 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 399, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H1'  14 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 431, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H2'  14 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 428, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H2'  14 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 445, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H2'  14 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 431, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H2'' 14 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 428, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H2'' 14 DG    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 447, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H2'' 14 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 445, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H3'  14 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 428, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H4'  14 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 428, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H4'  14 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 445, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H4'  14 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 431, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H1'  15 DG    H8    1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 464, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H1'  16 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 497, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H2'' 15 DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 461, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H2'' 15 DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 478, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H2'' 15 DG    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 458, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H2'' 15 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 464, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H3'  15 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 461, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H3'  15 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 464, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H3'  16 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 497, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H4'  15 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 461, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H4'  15 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 478, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H4'  15 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 464, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H1'  15 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 464, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H1'  16 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 497, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H1'  17 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H2'  16 DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 494, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H2'  17 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H3'  16 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 494, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H4'  15 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 464, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H4'  16 DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H4'  16 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 497, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H1'  17 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H1'  18 DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 563, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'  17 DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 527, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'  17 DG    H2''  1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 547, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'  17 DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'  17 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'  18 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'' 17 DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 527, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'' 17 DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 544, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'' 17 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H2'' 18 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H3'  16 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 494, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H3'  17 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 527, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H3'  17 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H3'  18 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H4'  17 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 527, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H4'  17 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 544, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H4'  17 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H4'  18 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H1'  18 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'  18 DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 560, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'  18 DA    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 576, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'  18 DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 557, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'  18 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'' 18 DA    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 560, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'' 18 DA    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 576, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'' 18 DA    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 557, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H2'' 18 DA    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H3'  18 DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 563, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H4'  18 DA    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 560, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H4'  18 DA    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 576, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H4'  18 DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 563, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 18  DA  H4'  19 DC    H6    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 595, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H2'' 19 DC    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 608, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H2'' 19 DC    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 606, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H2'' 19 DC    H6    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 595, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H3'  19 DC    H6    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 595, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H4'  19 DC    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 606, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H1'  20 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 625, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H1'  21 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 658, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H2'  20 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 622, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H2'  20 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 639, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H2'  21 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 658, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H2'' 20 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 622, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H2'' 20 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 639, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H2'' 21 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 658, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H3'  20 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 622, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H3'  21 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 658, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H4'  20 DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 622, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H4'  20 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 639, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H1'  20 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 625, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H1'  21 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 658, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H1'  22 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 691, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'  21 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 655, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'  21 DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'  21 DG    H4'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 652, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'  21 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 658, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'' 21 DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 655, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'' 21 DG    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 674, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'' 21 DG    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 652, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'' 21 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 658, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H2'' 22 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 691, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H3'  21 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 655, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H3'  21 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 658, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H3'  22 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 691, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H4'  21 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 655, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H4'  21 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 672, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H4'  21 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 658, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H1'  22 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 691, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'  22 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 688, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'  22 DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 705, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'  22 DG    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 685, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'' 22 DG    H1'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 688, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'' 22 DG    H2'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 707, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'' 22 DG    H3'   1.8     3.6      (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 705, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'' 22 DG    H4'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 685, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H2'' 22 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 691, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H3'  22 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 688, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H3'  22 DG    H8    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 691, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H4'  22 DG    H1'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 688, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H4'  22 DG    H3'   2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 705, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H4'  22 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 691, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 1   DG  H8   2  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  46, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H8   14 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  46, 437, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 2   DG  H8   15 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  46, 470, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H1   2  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  52, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H8   2  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  46, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H8   14 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 437, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H8   7  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 209, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 6   DG  H8   20 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 631, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H1   20 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 631, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H8   2  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  52, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H8   3  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  85, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H8   6  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 176, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H8   3  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  85, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H8   7  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 209, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H1'  8  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 248, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H6   8  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 248, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 10  DC  H6   11 DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 337, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H1'  22 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 697, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H6   3  DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  79, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 12  DC  H6   11 DA    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 337, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 13  DA  H1'  14 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 437, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 14  DG  H8   22 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 697, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H1   1  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  19, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H8   16 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 497, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H8   21 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 664, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H8   1  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 497,  19, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H1'  1  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  19, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H1'  6  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 182, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H1'  16 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 503, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 17  DG  H1'  20 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 631, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H1'  20 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 631, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H5   6  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 182, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H5   20 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 631, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 19  DC  H6   20 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 631, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H8   16 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 503, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 20  DG  H8   21 DG    H8    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 658, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H1'  21 DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 664, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H8   7  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 215, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 21  DG  H8   8  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 248, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 22  DG  H8   8  DG    H1    3.5     6.5      (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 248, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,    nstep1=30000, nstep2=100000,   &end
#
# 3   DG  H1   2  DG    H1    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  52, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 7   DG  H1   20 DG    H1    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 631, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 8   DG  H1   22 DG    H1    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 697, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 15  DG  H1   16 DG    H1    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 503, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
# 16  DG  H1   21 DG    H1    2.6     5.0      (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 664, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,    nstep1=30000, nstep2=100000,   &end
#
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