NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
649058 6m0c cing 1-original 6 AMBER distance NOE simple


#
# 4	DG	N1	1	DC5	N3	2.85	3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  20, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, 
      rk2=500, rk3=500, ir6=1, ialtd=0,
 /
#
# 8	DG3	N1	5	DC	N3	2.85	3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 147, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 4	DG	O6	1	DC5	N4	2.81	3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  17, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 8	DG3	O6	5	DC	N4	2.81	3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 144, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 4	DG	N2	1	DC5	O2	2.76	2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 22, r1= 2.26, r2= 2.76, r3= 2.96, r4= 3.46,  /
#
# 8	DG3	N2	5	DC	O2	2.76	2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 149, r1= 2.26, r2= 2.76, r3= 2.96, r4= 3.46,  /
#
# 2	DT	H5'	2	DT	H5''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  35, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
      rk2=1500.0, rk3=1500.0, ir6=1, ialtd=0,
 /
#
# 8	DG3	H5''	8	DG3	H5'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 7	DT	H2''	7	DT	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 3	DT	H2''	3	DT	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 4	DG	H2''	4	DG	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 5	DC	H2''	5	DC	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 3	DT	H4'	3	DT	H5'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H1'	8	DG3	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 251, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 5	DC	H3'	5	DC	H4'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 2	DT	H4'	2	DT	H5''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  35, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 2	DT	H4'	2	DT	H5'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  34, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 2	DT	H6	2	DT	H7	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  46,  47,  48,
 /
#
# 3	DT	H5'	3	DT	H5''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 7	DT	H3'	7	DT	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 7	DT	H1'	7	DT	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 3	DT	H4'	3	DT	H5''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 3	DT	H3'	3	DT	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 4	DG	H3'	4	DG	H5''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 5	DC	H3'	5	DC	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 7	DT	H6	7	DT	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 4	DG	H8	4	DG	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 4	DG	H3'	4	DG	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 3	DT	H6	3	DT	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 7	DT	H6	7	DT	H7	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 205, 206, 207,
 /
#
# 3	DT	H1'	3	DT	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  91, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 3	DT	H6	3	DT	H7	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  78,  79,  80,
 /
#
# 2	DT	H3'	2	DT	H5'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  34, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 4	DG	H1'	4	DG	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 124, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 5	DC	H1'	5	DC	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 6	DA	H1'	6	DA	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 1	DC5	H1'	1	DC5	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  27, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 2	DT	H1'	2	DT	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  59, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H8	8	DG3	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 1	DC5	H1'	2	DT	H7	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  46,  47,  48,
 /
#
# 3	DT	H3'	3	DT	H5'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H3'	8	DG3	H5''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 6	DA	H3'	6	DA	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 185, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H4'	8	DG3	H5'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 7	DT	H3'	7	DT	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H1'	8	DG3	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 1	DC5	H1'	1	DC5	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  26, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 5	DC	H6	5	DC	H5	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H3'	8	DG3	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H8	8	DG3	H3'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 4	DG	H3'	4	DG	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 124, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 8	DG3	H3'	8	DG3	H5'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 3	DT	H3'	3	DT	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  91, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 1	DC5	H6	1	DC5	H2'	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  26, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 5	DC	H3'	5	DC	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 2	DT	H3'	2	DT	H2''	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  59, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 1	DC5	H6	1	DC5	H5	1.8	4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  15, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
# 1	DC5	H4'	2	DT	H7	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2=  46,  47,  48,
 /
#
# 6	DA	H3'	6	DA	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 186, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4	DG	H4'	4	DG	H5'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  98, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6	DA	H3'	6	DA	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 164, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8	DG3	H4'	8	DG3	H2''	2.5	4.5			
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 251, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4	DG	H3'	4	DG	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 101, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4	DG	H1'	4	DG	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 123, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H3'	3	DT	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  69, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5	DC	H6	5	DC	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 153, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5	DC	H1'	5	DC	H3'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 151, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7	DT	H1'	7	DT	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 217, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2	DT	H2'	2	DT	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  37, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H5''	2	DT	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  59, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7	DT	H3'	7	DT	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 196, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H1'	3	DT	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  90, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4	DG	H8	4	DG	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 124, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6	DA	H1'	6	DA	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 185, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8	DG3	H3'	8	DG3	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 228, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1	DC5	H2''	3	DT	H7	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2=  78,  79,  80,
 /
#
# 2	DT	H1'	2	DT	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  58, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2	DT	H1'	3	DT	H5''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  67, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5	DC	H1'	5	DC	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 153, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8	DG3	H3'	8	DG3	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 251, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H3'	3	DT	H5''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  67, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H5'	2	DT	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  59, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H6	7	DT	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 218, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5	DC	H2''	7	DT	H7	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 205, 206, 207,
 /
#
# 3	DT	H6	2	DT	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  59, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H6	3	DT	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  91, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4	DG	H1'	4	DG	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 101, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H5'	2	DT	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  58, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5	DC	H6	4	DG	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 124, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 3	DT	H5''	2	DT	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  58, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2	DT	H2''	3	DT	H7	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2=  78,  79,  80,
 /
#
# 2	DT	H6	1	DC5	H1'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  10, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8	DG3	H8	8	DG3	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 251, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2	DT	H3'	3	DT	H7	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2=  78,  79,  80,
 /
#
# 2	DT	H1'	3	DT	H5'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  66, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6	DA	H2	2	DT	H7	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2=  46,  47,  48,
 /
#
# 1	DC5	H1'	1	DC5	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,   7, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1	DC5	H6	1	DC5	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  27, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6	DA	H8	6	DA	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 186, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 7	DT	H4'	8	DG3	H5'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 225, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8	DG3	H4'	8	DG3	H2'	2.5	4.5							
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 250, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1	DC5	H6	8	DG3	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 250, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2	DT	H6	2	DT	H2''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  59, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8	DG3	H1'	2	DT	H7	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2=  46,  47,  48,
 /
#
# 2	DT	H6	2	DT	H5''	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  35, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 6	DA	H1'	6	DA	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 164, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 2	DT	H1'	2	DT	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  37, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 8	DG3	H1'	8	DG3	H4'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 228, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 4	DG	H4'	4	DG	H2'	2.5	4.5							
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 123, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 5	DC	H4'	5	DC	H2'	2.5	4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 153, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  /
#
# 1	DC5	H1'	1	DC5	H3'	3.0	5.0							
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  24, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 3	DT	H6	3	DT	H5''	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  67, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H6	8	DG3	H2''	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 251, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H6	5	DC	H4'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 134, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H1'	6	DA	H2'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 185, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H6	7	DT	H7	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr2= 205, 206, 207,
 /
#
# 1	DC5	H1'	2	DT	H2''	3.0	5.0							
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  59, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 2	DT	H6	2	DT	H1'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  40, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 2	DT	H1'	2	DT	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  56, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H6	5	DC	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 151, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 4	DG	H1'	4	DG	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 121, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 4	DG	H8	4	DG	H3'	2.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 121, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  /
#
# 3	DT	H1'	3	DT	H4'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  69, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 6	DA	H8	6	DA	H1'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 167, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 4	DG	H4'	4	DG	H2''	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 124, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 7	DT	H6	7	DT	H3'	3.0	5.0							
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 215, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 2	DT	H6	2	DT	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  56, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H1'	3	DT	H7	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  -1, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr2=  78,  79,  80,
 /
#
# 3	DT	H6	3	DT	H1'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  72, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 3	DT	H6	3	DT	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H6	1	DC5	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  24, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 3	DT	H6	3	DT	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  88, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 7	DT	H1'	7	DT	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 215, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 7	DT	H6	7	DT	H1'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 199, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 8	DG3	H8	8	DG3	H1'	2.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 231, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  /
#
# 6	DA	H1'	6	DA	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 183, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 3	DT	H1'	3	DT	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  88, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H1'	7	DT	H7	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr2= 205, 206, 207,
 /
#
# 2	DT	H6	2	DT	H5'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  34, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 6	DA	H4'	6	DA	H2'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 185, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 8	DG3	H1'	8	DG3	H3'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 248, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 4	DG	H8	4	DG	H1'	3.0	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 104, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H5	7	DT	H7	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 3.00, r2= 3.50, r3= 6.00, r4= 6.50,
 igr2= 205, 206, 207,
 /
#
# 2	DT	H4'	2	DT	H2'	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  58, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H3'	2	DT	H7	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  -1, r1= 3.00, r2= 3.50, r3= 6.00, r4= 6.50,
 igr2=  46,  47,  48,
 /
#
# 8	DG3	H5'	8	DG3	H2'	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 250, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H6	3	DT	H7	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 3.00, r2= 3.50, r3= 6.00, r4= 6.50,
 igr2=  78,  79,  80,
 /
#
# 3	DT	H6	2	DT	H3'	3.5	5.0							
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  56, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H4'	5	DC	H2''	3.5	5.0							
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 154, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 3	DT	H4'	2	DT	H2''	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  59, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 5	DC	H3'	7	DT	H7	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 3.00, r2= 3.50, r3= 6.00, r4= 6.50,
 igr2= 205, 206, 207,
 /
#
# 8	DG3	H1'	1	DC5	H4'	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 231,   7, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 6	DA	H4'	6	DA	H2''	3.5	5.0							
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 186, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H4'	8	DG3	H2''	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=   7, 251, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 6	DA	H8	6	DA	H3'	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 183, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H5	8	DG3	H2'	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  15, 250, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 2	DT	H4'	2	DT	H2''	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  59, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H5	3	DT	H7	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 3.00, r2= 3.50, r3= 6.00, r4= 6.50,
 igr2=  78,  79,  80,
 /
#
# 2	DT	H6	2	DT	H4'	3.5	5.0							
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  37, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 6	DA	H8	5	DC	H1'	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 137, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 8	DG3	H8	8	DG3	H5''	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 226, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 7	DT	H6	7	DT	H4'	3.5	5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 196, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50,  /
#
# 1	DC5	H5	1	DC5	H2'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  26, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H6	1	DC5	H4'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   7, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H5	5	DC	H2''	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 154, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H8	5	DC	H5	3.5	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 142, r1= 3.00, r2= 3.50, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H5'	8	DG3	H2''	4.0	6.0			
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 251, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H5	4	DG	H2''	4.0	6.0							
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 124, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H6	2	DT	H1'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  40, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H5	5	DC	H2'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 153, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H8	8	DG3	H4'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 228, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H8	4	DG	H5''	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  99, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H8	6	DA	H4'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 164, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H8	1	DC5	H5	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  15, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H8	1	DC5	H6	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  13, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5	8	DG3	H2''	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  15, 251, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H4'	1	DC5	H2''	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  27, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H4'	7	DT	H7	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 3.50, r2= 4.00, r3= 7.21, r4= 7.71,
 igr2= 205, 206, 207,
 /
#
# 4	DG	H1'	5	DC	H5	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 142, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H4'	3	DT	H7	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  -1, r1= 3.50, r2= 4.00, r3= 7.21, r4= 7.71,
 igr2=  78,  79,  80,
 /
#
# 8	DG3	H1'	1	DC5	H5	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  15, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H8	3	DT	H1'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  72, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H1'	1	DC5	H1'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  10, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H8	7	DT	H1'	4.0	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 199, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H3'	1	DC5	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H3'	1	DC5	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H4'	1	DC5	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H4'	1	DC5	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H2''	1	DC5	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H6	1	DC5	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   4, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H6	1	DC5	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   5, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H3'	1	DC5	H4'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,   7, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H3'	1	DC5	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,   4, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H3'	1	DC5	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,   5, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H4'	1	DC5	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   7,   4, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H4'	1	DC5	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   7,   5, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H6	1	DC5	H1'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5'	1	DC5	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5''	1	DC5	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5'	1	DC5	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5''	1	DC5	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5'	2	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  46,  47,  48,
 /
#
# 1	DC5	H5''	2	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  46,  47,  48,
 /
#
# 1	DC5	H3'	3	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  78,  79,  80,
 /
#
# 1	DC5	H2'	3	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  78,  79,  80,
 /
#
# 1	DC5	H6	8	DG3	H1'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5'	8	DG3	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   4, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5''	8	DG3	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   5, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5'	8	DG3	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   4, 250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H5''	8	DG3	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   5, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 1	DC5	H6	8	DG3	H3'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H6	1	DC5	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H3'	1	DC5	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H2''	1	DC5	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H6	2	DT	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H3'	2	DT	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H2''	2	DT	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H3'	2	DT	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  35, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H2'	3	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  78,  79,  80,
 /
#
# 2	DT	H1'	3	DT	H4'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  69, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H6	2	DT	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H6	2	DT	H4'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  37, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H4'	3	DT	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  90, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H5'	3	DT	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  91, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H5''	4	DG	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H5''	4	DG	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 124, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H5'	4	DG	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H8	4	DG	H4'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H3'	4	DG	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H4'	4	DG	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  99, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H5''	4	DG	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H6	4	DG	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H6	4	DG	H1'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H6	5	DC	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H6	5	DC	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H6	5	DC	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 132, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H3'	5	DC	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H3'	5	DC	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 132, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H5'	5	DC	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 132, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H5'	5	DC	H4'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H6	5	DC	H1'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H1'	6	DA	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 161, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H1'	6	DA	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 162, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H1'	6	DA	H3'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 5	DC	H2'	7	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 205, 206, 207,
 /
#
# 6	DA	H3'	5	DC	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 153, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H3'	5	DC	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H2'	6	DA	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H1'	6	DA	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 161, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H1'	6	DA	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 162, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H3'	6	DA	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 161, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H3'	6	DA	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 162, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H4'	6	DA	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 161, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H4'	6	DA	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H1'	7	DT	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H1'	7	DT	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 194, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H2'	7	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 205, 206, 207,
 /
#
# 7	DT	H4'	7	DT	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H4'	7	DT	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H3'	7	DT	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H3'	7	DT	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 194, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H8	1	DC5	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234,   5, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H1'	1	DC5	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 231,   4, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H1'	1	DC5	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 231,   5, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H2'	8	DG3	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H4'	8	DG3	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H4'	8	DG3	H5''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H6	8	DG3	H1	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H6	4	DG	H1	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H3	5	DC	H41	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H3	5	DC	H42	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H3	1	DC5	H41	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  18, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 3	DT	H3	1	DC5	H42	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  19, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H6	6	DA	H61	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 175, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H7	6	DA	H61	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  46,  47,  48,
 /
#
# 2	DT	H1'	6	DA	H61	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 175, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H6	6	DA	H62	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 176, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H7	6	DA	H62	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  46,  47,  48,
 /
#
# 2	DT	H1'	6	DA	H62	1.8	6.0							
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 176, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H3	6	DA	H8	1.8	6.0							
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H8	4	DG	H5'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 2	DT	H6	1	DC5	H2''	1.8	6.0							
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H1'	5	DC	H3'	1.8	6.0							
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 8	DG3	H8	8	DG3	H5'	1.8	6.0							
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H3'	7	DT	H7	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 205, 206, 207,
 /
#
# 4	DG	H5'	4	DG	H2''	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 124, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 7	DT	H6	6	DA	H3'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 4	DG	H8	5	DC	H6	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
# 6	DA	H8	6	DA	H2'	1.8	6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 2, 2024 1:06:26 PM GMT (wattos1)