*HEADER    DNA                                     30-JUL-13   4BZV
*TITLE     THE SOLUTION STRUCTURE OF THE MLN 944-D(TACGCGTA)2 COMPLEX
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: DNA;
*COMPND   3 CHAIN: A, B
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
*SOURCE   4 ORGANISM_TAXID: 32630
*KEYWDS    DNA, BIS(PHENAZINE-1-CARBOXAMIDES), MLN 944, DNA, INTERCALATION,
*KEYWDS   2 DRUG DESIGN, ANTICANCER DRUG.
*EXPDTA    SOLUTION NMR
*AUTHOR    A.SEROBIAN,D.S.THOMAS,G.E.BALL,W.A.DENNY,L.P.G.WAKELIN
*REVDAT   1   31-JUL-13 4BZV    0




#
# 1	T	H6	1	T	H1'	2.96	5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 2.46, r2= 2.96, r3= 5.42, r4= 5.92, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 1	T	M7	1	T	H6	2.87	3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 2.37, r2= 2.87, r3= 3.82, r4= 4.32,
 igr1=  16,  17,  18,
 &end
#
# 1	T	H3'	1	T	H6	3.30	4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 2.80, r2= 3.30, r3= 4.35, r4= 4.85,  &end
#
# 1	T	H2'	1	T	H1'	2.86	4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  10, r1= 2.36, r2= 2.86, r3= 4.21, r4= 4.71,  &end
#
# 1	T	H2'	1	T	H6	2.26	2.48
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  13, r1= 1.76, r2= 2.26, r3= 2.48, r4= 2.98,  &end
#
# 1	T	H2'	1	T	H3'	2.26	2.55
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  26, r1= 1.76, r2= 2.26, r3= 2.55, r4= 3.05,  &end
#
# 1	T	H2''	1	T	H1'	2.28	2.56
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  10, r1= 1.78, r2= 2.28, r3= 2.56, r4= 3.06,  &end
#
# 1	T	H2''	1	T	H6	3.02	4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 2.52, r2= 3.02, r3= 4.72, r4= 5.22,  &end
#
# 1	T	H2''	1	T	H3'	2.63	3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  26, r1= 2.13, r2= 2.63, r3= 3.45, r4= 3.95,  &end
#
# 1	T	H2''	1	T	H2'	1.88	1.99
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  28, r1= 1.38, r2= 1.88, r3= 1.99, r4= 2.49,  &end
#
# 2	A	H8	1	T	H1'	3.21	6.13
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  10, r1= 2.71, r2= 3.21, r3= 6.13, r4= 6.63,  &end
#
# 2	A	H8	1	T	H3'	3.01	4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  26, r1= 2.51, r2= 3.01, r3= 4.99, r4= 5.49,  &end
#
# 2	A	H8	1	T	H2'	2.88	4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  28, r1= 2.38, r2= 2.88, r3= 4.29, r4= 4.79,  &end
#
# 2	A	H8	1	T	H2''	2.86	4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  29, r1= 2.36, r2= 2.86, r3= 4.71, r4= 5.21,  &end
#
# 2	A	H8	2	A	H1'	2.98	5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  42, r1= 2.48, r2= 2.98, r3= 5.17, r4= 5.67,  &end
#
# 2	A	H3'	2	A	H8	3.29	6.46
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  45, r1= 2.79, r2= 3.29, r3= 6.46, r4= 6.96,  &end
#
# 2	A	H2'	2	A	H1'	2.37	3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  42, r1= 1.87, r2= 2.37, r3= 3.66, r4= 4.16,  &end
#
# 2	A	H2'	2	A	H8	1.90	2.30
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  45, r1= 1.40, r2= 1.90, r3= 2.30, r4= 2.80,  &end
#
# 2	A	H2'	2	A	H3'	2.07	2.64
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  58, r1= 1.57, r2= 2.07, r3= 2.64, r4= 3.14,  &end
#
# 2	A	H2''	2	A	H1'	2.26	2.73
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  42, r1= 1.76, r2= 2.26, r3= 2.73, r4= 3.23,  &end
#
# 2	A	H2''	2	A	H8	2.45	4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  45, r1= 1.95, r2= 2.45, r3= 4.63, r4= 5.13,  &end
#
# 2	A	H2''	2	A	H3'	2.62	4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  58, r1= 2.12, r2= 2.62, r3= 4.32, r4= 4.82,  &end
#
# 3	C	H6	2	A	H1'	2.80	4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  42, r1= 2.30, r2= 2.80, r3= 4.07, r4= 4.57,  &end
#
# 3	C	H6	2	A	H8	2.85	5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  45, r1= 2.35, r2= 2.85, r3= 5.32, r4= 5.82,  &end
#
# 3	C	H6	2	A	H2'	2.16	3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  60, r1= 1.66, r2= 2.16, r3= 3.36, r4= 3.86,  &end
#
# 3	C	H6	2	A	H2''	2.39	3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  61, r1= 1.89, r2= 2.39, r3= 3.67, r4= 4.17,  &end
#
# 3	C	H6	3	C	H1'	2.82	3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  74, r1= 2.32, r2= 2.82, r3= 3.95, r4= 4.45,  &end
#
# 3	C	H5	2	A	H8	3.10	5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  45, r1= 2.60, r2= 3.10, r3= 5.16, r4= 5.66,  &end
#
# 3	C	H5	2	A	H2'	2.50	3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  60, r1= 2.00, r2= 2.50, r3= 3.70, r4= 4.20,  &end
#
# 3	C	H5	2	A	H2''	2.66	3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  61, r1= 2.16, r2= 2.66, r3= 3.88, r4= 4.38,  &end
#
# 3	C	H5	3	C	H6	2.20	2.59
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  77, r1= 1.70, r2= 2.20, r3= 2.59, r4= 3.09,  &end
#
# 3	C	H2'	3	C	H1'	2.35	4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  74, r1= 1.85, r2= 2.35, r3= 4.34, r4= 4.84,  &end
#
# 3	C	H2'	3	C	H6	1.88	2.82
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  77, r1= 1.38, r2= 1.88, r3= 2.82, r4= 3.32,  &end
#
# 3	C	H2'	3	C	H5	3.05	5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  79, r1= 2.55, r2= 3.05, r3= 5.20, r4= 5.70,  &end
#
# 3	C	H2'	3	C	H3'	2.23	2.96
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  88, r1= 1.73, r2= 2.23, r3= 2.96, r4= 3.46,  &end
#
# 3	C	H2''	3	C	H1'	2.01	2.48
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  74, r1= 1.51, r2= 2.01, r3= 2.48, r4= 2.98,  &end
#
# 3	C	H2''	3	C	H6	2.04	3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  77, r1= 1.54, r2= 2.04, r3= 3.69, r4= 4.19,  &end
#
# 3	C	H2''	3	C	H3'	2.55	3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  88, r1= 2.05, r2= 2.55, r3= 3.83, r4= 4.33,  &end
#
# 4	G	H8	4	G	H1'	2.96	4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 104, r1= 2.46, r2= 2.96, r3= 4.89, r4= 5.39,  &end
#
# 4	G	H2'	4	G	H1'	2.76	3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 104, r1= 2.26, r2= 2.76, r3= 3.66, r4= 4.16,  &end
#
# 4	G	H2'	4	G	H8	2.18	2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 107, r1= 1.68, r2= 2.18, r3= 2.69, r4= 3.19,  &end
#
# 4	G	H2''	4	G	H1'	2.25	2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 104, r1= 1.75, r2= 2.25, r3= 2.90, r4= 3.40,  &end
#
# 4	G	H2''	4	G	H8	2.62	3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 107, r1= 2.12, r2= 2.62, r3= 3.70, r4= 4.20,  &end
#
# 5	C	H6	4	G	H1'	2.89	4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 104, r1= 2.39, r2= 2.89, r3= 4.01, r4= 4.51,  &end
#
# 5	C	H6	4	G	H8	3.21	5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 107, r1= 2.71, r2= 3.21, r3= 5.84, r4= 6.34,  &end
#
# 5	C	H6	5	C	H1'	3.11	5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 137, r1= 2.61, r2= 3.11, r3= 5.28, r4= 5.78,  &end
#
# 5	C	H5	4	G	H8	3.24	6.54
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 107, r1= 2.74, r2= 3.24, r3= 6.54, r4= 7.04,  &end
#
# 5	C	H5	4	G	H2'	2.99	5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 123, r1= 2.49, r2= 2.99, r3= 5.42, r4= 5.92,  &end
#
# 5	C	H5	5	C	H6	2.46	2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 140, r1= 1.96, r2= 2.46, r3= 2.90, r4= 3.40,  &end
#
# 5	C	H3'	5	C	H6	2.61	3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 140, r1= 2.11, r2= 2.61, r3= 3.17, r4= 3.67,  &end
#
# 5	C	H2'	5	C	H1'	2.48	2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 137, r1= 1.98, r2= 2.48, r3= 2.83, r4= 3.33,  &end
#
# 5	C	H2'	5	C	H6	2.42	2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 140, r1= 1.92, r2= 2.42, r3= 2.82, r4= 3.32,  &end
#
# 5	C	H2'	5	C	H5	3.11	4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 142, r1= 2.61, r2= 3.11, r3= 4.94, r4= 5.44,  &end
#
# 5	C	H2'	5	C	H3'	2.39	2.75
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 151, r1= 1.89, r2= 2.39, r3= 2.75, r4= 3.25,  &end
#
# 5	C	H2''	5	C	H1'	2.10	2.41
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 137, r1= 1.60, r2= 2.10, r3= 2.41, r4= 2.91,  &end
#
# 5	C	H2''	5	C	H6	2.51	3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 140, r1= 2.01, r2= 2.51, r3= 3.11, r4= 3.61,  &end
#
# 5	C	H2''	5	C	H3'	2.57	3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 151, r1= 2.07, r2= 2.57, r3= 3.48, r4= 3.98,  &end
#
# 5	C	H2''	5	C	H2'	2.53	3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 153, r1= 2.03, r2= 2.53, r3= 3.14, r4= 3.64,  &end
#
# 6	G	H8	6	G	H1'	2.90	4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 167, r1= 2.40, r2= 2.90, r3= 4.46, r4= 4.96,  &end
#
# 6	G	H2'	6	G	H1'	2.35	5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 167, r1= 1.85, r2= 2.35, r3= 5.08, r4= 5.58,  &end
#
# 6	G	H2'	6	G	H8	2.05	2.68
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 170, r1= 1.55, r2= 2.05, r3= 2.68, r4= 3.18,  &end
#
# 6	G	H2'	6	G	H3'	2.45	3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 184, r1= 1.95, r2= 2.45, r3= 3.42, r4= 3.92,  &end
#
# 6	G	H2''	6	G	H1'	2.04	2.52
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 167, r1= 1.54, r2= 2.04, r3= 2.52, r4= 3.02,  &end
#
# 6	G	H2''	6	G	H8	2.48	4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 170, r1= 1.98, r2= 2.48, r3= 4.46, r4= 4.96,  &end
#
# 6	G	H2''	6	G	H3'	2.29	4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 184, r1= 1.79, r2= 2.29, r3= 4.10, r4= 4.60,  &end
#
# 7	T	H6	6	G	H8	2.84	4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 170, r1= 2.34, r2= 2.84, r3= 4.65, r4= 5.15,  &end
#
# 7	T	H6	6	G	H2'	2.34	4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 186, r1= 1.84, r2= 2.34, r3= 4.58, r4= 5.08,  &end
#
# 7	T	H6	6	G	H2''	2.30	3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 187, r1= 1.80, r2= 2.30, r3= 3.17, r4= 3.67,  &end
#
# 7	T	H6	7	T	H1'	2.71	3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 200, r1= 2.21, r2= 2.71, r3= 3.87, r4= 4.37,  &end
#
# 7	T	M7	6	G	H1'	3.67	5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 167, r1= 3.17, r2= 3.67, r3= 6.06, r4= 6.56,
 igr1= 206, 207, 208,
 &end
#
# 7	T	M7	6	G	H8	3.57	4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 3.07, r2= 3.57, r3= 5.02, r4= 5.52,
 igr1= 206, 207, 208,
 &end
#
# 7	T	M7	6	G	H2'	3.21	5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 2.71, r2= 3.21, r3= 6.85, r4= 7.35,
 igr1= 206, 207, 208,
 &end
#
# 7	T	M7	6	G	H2''	3.24	4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 2.74, r2= 3.24, r3= 5.92, r4= 6.42,
 igr1= 206, 207, 208,
 &end
#
# 7	T	M7	7	T	H6	2.72	3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 2.22, r2= 2.72, r3= 3.73, r4= 4.23,
 igr1= 206, 207, 208,
 &end
#
# 7	T	H3'	7	T	H6	2.88	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 203, r1= 2.38, r2= 2.88, r3= 4.17, r4= 4.67,  &end
#
# 7	T	H2'	7	T	H1'	2.57	3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 200, r1= 2.07, r2= 2.57, r3= 3.12, r4= 3.62,  &end
#
# 7	T	H2'	7	T	H6	2.18	2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 203, r1= 1.68, r2= 2.18, r3= 2.39, r4= 2.89,  &end
#
# 7	T	H2'	7	T	H3'	2.38	2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 216, r1= 1.88, r2= 2.38, r3= 2.78, r4= 3.28,  &end
#
# 7	T	H2''	7	T	H1'	2.19	2.42
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 200, r1= 1.69, r2= 2.19, r3= 2.42, r4= 2.92,  &end
#
# 7	T	H2''	7	T	H3'	2.56	3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 216, r1= 2.06, r2= 2.56, r3= 3.59, r4= 4.09,  &end
#
# 7	T	H2''	7	T	H2'	1.82	2.11
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 218, r1= 1.32, r2= 1.82, r3= 2.11, r4= 2.61,  &end
#
# 8	A	H8	7	T	H1'	3.16	5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 200, r1= 2.66, r2= 3.16, r3= 5.95, r4= 6.45,  &end
#
# 8	A	H8	7	T	H2'	2.94	4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 218, r1= 2.44, r2= 2.94, r3= 4.73, r4= 5.23,  &end
#
# 8	A	H8	7	T	H2''	2.87	4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 219, r1= 2.37, r2= 2.87, r3= 4.15, r4= 4.65,  &end
#
# 8	A	H8	8	A	H1'	2.66	3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 232, r1= 2.16, r2= 2.66, r3= 3.57, r4= 4.07,  &end
#
# 8	A	H3'	8	A	H8	3.03	5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 235, r1= 2.53, r2= 3.03, r3= 5.03, r4= 5.53,  &end
#
# 8	A	H2'	8	A	H1'	2.45	4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 232, r1= 1.95, r2= 2.45, r3= 4.08, r4= 4.58,  &end
#
# 8	A	H2'	8	A	H8	2.04	2.34
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 235, r1= 1.54, r2= 2.04, r3= 2.34, r4= 2.84,  &end
#
# 8	A	H2'	8	A	H3'	2.05	2.33
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 248, r1= 1.55, r2= 2.05, r3= 2.33, r4= 2.83,  &end
#
# 8	A	H2''	8	A	H1'	1.96	2.23
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.46, r2= 1.96, r3= 2.23, r4= 2.73,  &end
#
# 8	A	H2''	8	A	H8	2.70	4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 235, r1= 2.20, r2= 2.70, r3= 4.71, r4= 5.21,  &end
#
# 8	A	H2''	8	A	H3'	2.90	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 248, r1= 2.40, r2= 2.90, r3= 4.17, r4= 4.67,  &end
#
# 9	T	H6	9	T	H1'	2.90	5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 263, r1= 2.40, r2= 2.90, r3= 5.01, r4= 5.51,  &end
#
# 9	T	M7	9	T	H6	2.92	3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 266, r1= 2.42, r2= 2.92, r3= 3.83, r4= 4.33,
 igr1= 269, 270, 271,
 &end
#
# 9	T	H3'	9	T	H6	3.13	4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 266, r1= 2.63, r2= 3.13, r3= 4.69, r4= 5.19,  &end
#
# 9	T	H2'	9	T	H1'	2.90	4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 263, r1= 2.40, r2= 2.90, r3= 4.94, r4= 5.44,  &end
#
# 9	T	H2'	9	T	H6	2.20	2.42
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 266, r1= 1.70, r2= 2.20, r3= 2.42, r4= 2.92,  &end
#
# 9	T	H2'	9	T	H3'	2.25	2.56
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 279, r1= 1.75, r2= 2.25, r3= 2.56, r4= 3.06,  &end
#
# 9	T	H2''	9	T	H1'	2.18	2.55
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 263, r1= 1.68, r2= 2.18, r3= 2.55, r4= 3.05,  &end
#
# 9	T	H2''	9	T	H6	3.17	4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 266, r1= 2.67, r2= 3.17, r3= 4.96, r4= 5.46,  &end
#
# 9	T	H2''	9	T	H3'	2.57	3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 279, r1= 2.07, r2= 2.57, r3= 3.46, r4= 3.96,  &end
#
# 9	T	H2''	9	T	H2'	1.80	1.99
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 281, r1= 1.30, r2= 1.80, r3= 1.99, r4= 2.49,  &end
#
# 10	A	H8	9	T	H1'	3.15	4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 263, r1= 2.65, r2= 3.15, r3= 4.85, r4= 5.35,  &end
#
# 10	A	H8	9	T	H3'	3.02	4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 279, r1= 2.52, r2= 3.02, r3= 4.83, r4= 5.33,  &end
#
# 10	A	H8	9	T	H2'	2.94	4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 281, r1= 2.44, r2= 2.94, r3= 4.73, r4= 5.23,  &end
#
# 10	A	H8	9	T	H2''	2.74	4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 282, r1= 2.24, r2= 2.74, r3= 4.51, r4= 5.01,  &end
#
# 10	A	H8	10	A	H1'	2.93	5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 295, r1= 2.43, r2= 2.93, r3= 5.94, r4= 6.44,  &end
#
# 10	A	H3'	10	A	H8	3.50	6.72
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 298, r1= 3.00, r2= 3.50, r3= 6.72, r4= 7.22,  &end
#
# 10	A	H2'	10	A	H1'	2.28	3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 295, r1= 1.78, r2= 2.28, r3= 3.55, r4= 4.05,  &end
#
# 10	A	H2'	10	A	H8	1.92	2.32
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 298, r1= 1.42, r2= 1.92, r3= 2.32, r4= 2.82,  &end
#
# 10	A	H2'	10	A	H3'	2.11	2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 311, r1= 1.61, r2= 2.11, r3= 2.78, r4= 3.28,  &end
#
# 10	A	H2''	10	A	H1'	2.13	2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 295, r1= 1.63, r2= 2.13, r3= 2.76, r4= 3.26,  &end
#
# 10	A	H2''	10	A	H8	2.31	5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 298, r1= 1.81, r2= 2.31, r3= 5.88, r4= 6.38,  &end
#
# 10	A	H2''	10	A	H3'	2.57	4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 311, r1= 2.07, r2= 2.57, r3= 4.40, r4= 4.90,  &end
#
# 11	C	H6	10	A	H1'	2.82	4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 295, r1= 2.32, r2= 2.82, r3= 4.01, r4= 4.51,  &end
#
# 11	C	H6	10	A	H8	2.83	5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 298, r1= 2.33, r2= 2.83, r3= 5.82, r4= 6.32,  &end
#
# 11	C	H6	10	A	H2'	2.28	3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 313, r1= 1.78, r2= 2.28, r3= 3.62, r4= 4.12,  &end
#
# 11	C	H6	10	A	H2''	2.34	3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 314, r1= 1.84, r2= 2.34, r3= 3.72, r4= 4.22,  &end
#
# 11	C	H6	11	C	H1'	2.79	6.26
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 327, r1= 2.29, r2= 2.79, r3= 6.26, r4= 6.76,  &end
#
# 11	C	H5	10	A	H8	3.00	5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 298, r1= 2.50, r2= 3.00, r3= 5.91, r4= 6.41,  &end
#
# 11	C	H5	10	A	H2'	2.54	4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 313, r1= 2.04, r2= 2.54, r3= 4.16, r4= 4.66,  &end
#
# 11	C	H5	10	A	H2''	2.45	5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 314, r1= 1.95, r2= 2.45, r3= 5.37, r4= 5.87,  &end
#
# 11	C	H5	11	C	H6	2.24	2.62
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 330, r1= 1.74, r2= 2.24, r3= 2.62, r4= 3.12,  &end
#
# 11	C	H2'	11	C	H1'	2.41	4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 327, r1= 1.91, r2= 2.41, r3= 4.23, r4= 4.73,  &end
#
# 11	C	H2'	11	C	H6	2.07	3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 330, r1= 1.57, r2= 2.07, r3= 3.50, r4= 4.00,  &end
#
# 11	C	H2'	11	C	H5	2.95	4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 332, r1= 2.45, r2= 2.95, r3= 4.77, r4= 5.27,  &end
#
# 11	C	H2'	11	C	H3'	2.24	3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 341, r1= 1.74, r2= 2.24, r3= 3.07, r4= 3.57,  &end
#
# 11	C	H2''	11	C	H1'	1.99	2.56
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 327, r1= 1.49, r2= 1.99, r3= 2.56, r4= 3.06,  &end
#
# 11	C	H2''	11	C	H6	2.16	3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 330, r1= 1.66, r2= 2.16, r3= 3.26, r4= 3.76,  &end
#
# 11	C	H2''	11	C	H3'	2.54	3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 341, r1= 2.04, r2= 2.54, r3= 3.84, r4= 4.34,  &end
#
# 12	G	H8	12	G	H1'	3.10	4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 357, r1= 2.60, r2= 3.10, r3= 4.65, r4= 5.15,  &end
#
# 12	G	H2'	12	G	H1'	2.83	3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 357, r1= 2.33, r2= 2.83, r3= 3.73, r4= 4.23,  &end
#
# 12	G	H2'	12	G	H8	2.29	2.68
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 360, r1= 1.79, r2= 2.29, r3= 2.68, r4= 3.18,  &end
#
# 12	G	H2''	12	G	H1'	2.22	2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 357, r1= 1.72, r2= 2.22, r3= 2.88, r4= 3.38,  &end
#
# 12	G	H2''	12	G	H8	2.81	4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 360, r1= 2.31, r2= 2.81, r3= 4.16, r4= 4.66,  &end
#
# 13	C	H6	12	G	H1'	2.94	4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 357, r1= 2.44, r2= 2.94, r3= 4.57, r4= 5.07,  &end
#
# 13	C	H6	12	G	H8	3.35	6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 360, r1= 2.85, r2= 3.35, r3= 6.34, r4= 6.84,  &end
#
# 13	C	H6	13	C	H1'	3.17	4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 390, r1= 2.67, r2= 3.17, r3= 4.61, r4= 5.11,  &end
#
# 13	C	H5	12	G	H8	3.18	4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 360, r1= 2.68, r2= 3.18, r3= 4.85, r4= 5.35,  &end
#
# 13	C	H5	12	G	H2'	2.82	3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 376, r1= 2.32, r2= 2.82, r3= 3.81, r4= 4.31,  &end
#
# 13	C	H5	13	C	H6	2.52	2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 393, r1= 2.02, r2= 2.52, r3= 2.86, r4= 3.36,  &end
#
# 13	C	H3'	13	C	H6	2.69	3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 393, r1= 2.19, r2= 2.69, r3= 3.30, r4= 3.80,  &end
#
# 13	C	H2'	13	C	H1'	2.21	2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 390, r1= 1.71, r2= 2.21, r3= 2.93, r4= 3.43,  &end
#
# 13	C	H2'	13	C	H6	2.36	2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 393, r1= 1.86, r2= 2.36, r3= 2.94, r4= 3.44,  &end
#
# 13	C	H2'	13	C	H5	3.15	4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 395, r1= 2.65, r2= 3.15, r3= 4.59, r4= 5.09,  &end
#
# 13	C	H2'	13	C	H3'	2.38	2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 404, r1= 1.88, r2= 2.38, r3= 2.74, r4= 3.24,  &end
#
# 13	C	H2''	13	C	H1'	1.83	2.22
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 390, r1= 1.33, r2= 1.83, r3= 2.22, r4= 2.72,  &end
#
# 13	C	H2''	13	C	H6	2.30	2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 393, r1= 1.80, r2= 2.30, r3= 2.96, r4= 3.46,  &end
#
# 13	C	H2''	13	C	H3'	2.55	3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 404, r1= 2.05, r2= 2.55, r3= 3.44, r4= 3.94,  &end
#
# 13	C	H2''	13	C	H2'	2.33	3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 406, r1= 1.83, r2= 2.33, r3= 3.10, r4= 3.60,  &end
#
# 14	G	H8	14	G	H1'	2.90	4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 420, r1= 2.40, r2= 2.90, r3= 4.30, r4= 4.80,  &end
#
# 14	G	H2'	14	G	H1'	2.57	4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 420, r1= 2.07, r2= 2.57, r3= 4.41, r4= 4.91,  &end
#
# 14	G	H2'	14	G	H8	2.02	2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 423, r1= 1.52, r2= 2.02, r3= 2.69, r4= 3.19,  &end
#
# 14	G	H2'	14	G	H3'	2.52	3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 437, r1= 2.02, r2= 2.52, r3= 3.62, r4= 4.12,  &end
#
# 14	G	H2''	14	G	H1'	2.04	2.68
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 420, r1= 1.54, r2= 2.04, r3= 2.68, r4= 3.18,  &end
#
# 14	G	H2''	14	G	H8	2.54	6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 423, r1= 2.04, r2= 2.54, r3= 6.02, r4= 6.52,  &end
#
# 14	G	H2''	14	G	H3'	2.53	4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 437, r1= 2.03, r2= 2.53, r3= 4.64, r4= 5.14,  &end
#
# 15	T	H6	14	G	H8	2.73	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 423, r1= 2.23, r2= 2.73, r3= 4.17, r4= 4.67,  &end
#
# 15	T	H6	14	G	H2'	2.30	4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 439, r1= 1.80, r2= 2.30, r3= 4.06, r4= 4.56,  &end
#
# 15	T	H6	14	G	H2''	2.08	2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 440, r1= 1.58, r2= 2.08, r3= 2.89, r4= 3.39,  &end
#
# 15	T	H6	15	T	H1'	2.58	3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 453, r1= 2.08, r2= 2.58, r3= 3.83, r4= 4.33,  &end
#
# 15	T	M7	14	G	H1'	3.79	5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 3.29, r2= 3.79, r3= 6.67, r4= 7.17,
 igr1= 459, 460, 461,
 &end
#
# 15	T	M7	14	G	H8	3.54	4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 3.04, r2= 3.54, r3= 5.21, r4= 5.71,
 igr1= 459, 460, 461,
 &end
#
# 15	T	M7	14	G	H2'	3.31	4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 439, r1= 2.81, r2= 3.31, r3= 5.39, r4= 5.89,
 igr1= 459, 460, 461,
 &end
#
# 15	T	M7	14	G	H2''	3.27	4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 2.77, r2= 3.27, r3= 5.42, r4= 5.92,
 igr1= 459, 460, 461,
 &end
#
# 15	T	M7	15	T	H6	2.80	3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 2.30, r2= 2.80, r3= 3.76, r4= 4.26,
 igr1= 459, 460, 461,
 &end
#
# 15	T	H3'	15	T	H6	2.96	4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 456, r1= 2.46, r2= 2.96, r3= 4.29, r4= 4.79,  &end
#
# 15	T	H2'	15	T	H1'	2.49	3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 453, r1= 1.99, r2= 2.49, r3= 3.56, r4= 4.06,  &end
#
# 15	T	H2'	15	T	H6	2.10	2.45
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 456, r1= 1.60, r2= 2.10, r3= 2.45, r4= 2.95,  &end
#
# 15	T	H2'	15	T	H3'	2.33	2.68
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 469, r1= 1.83, r2= 2.33, r3= 2.68, r4= 3.18,  &end
#
# 15	T	H2''	15	T	H1'	2.11	2.38
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 453, r1= 1.61, r2= 2.11, r3= 2.38, r4= 2.88,  &end
#
# 15	T	H2''	15	T	H3'	2.50	3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 469, r1= 2.00, r2= 2.50, r3= 3.07, r4= 3.57,  &end
#
# 15	T	H2''	15	T	H2'	1.84	2.03
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 471, r1= 1.34, r2= 1.84, r3= 2.03, r4= 2.53,  &end
#
# 16	A	H8	15	T	H1'	3.28	5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 453, r1= 2.78, r2= 3.28, r3= 5.34, r4= 5.84,  &end
#
# 16	A	H8	15	T	H2'	2.91	3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 471, r1= 2.41, r2= 2.91, r3= 3.93, r4= 4.43,  &end
#
# 16	A	H8	15	T	H2''	2.82	4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 472, r1= 2.32, r2= 2.82, r3= 4.15, r4= 4.65,  &end
#
# 16	A	H8	16	A	H1'	2.68	3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 485, r1= 2.18, r2= 2.68, r3= 3.83, r4= 4.33,  &end
#
# 16	A	H3'	16	A	H8	3.08	4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 488, r1= 2.58, r2= 3.08, r3= 4.46, r4= 4.96,  &end
#
# 16	A	H2'	16	A	H1'	2.83	3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 485, r1= 2.33, r2= 2.83, r3= 3.36, r4= 3.86,  &end
#
# 16	A	H2'	16	A	H8	1.98	2.43
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 488, r1= 1.48, r2= 1.98, r3= 2.43, r4= 2.93,  &end
#
# 16	A	H2'	16	A	H3'	2.03	2.37
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 501, r1= 1.53, r2= 2.03, r3= 2.37, r4= 2.87,  &end
#
# 16	A	H2''	16	A	H1'	1.96	2.21
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 485, r1= 1.46, r2= 1.96, r3= 2.21, r4= 2.71,  &end
#
# 16	A	H2''	16	A	H8	2.90	4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 488, r1= 2.40, r2= 2.90, r3= 4.48, r4= 4.98,  &end
#
# 16	A	H2''	16	A	H3'	2.78	4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 501, r1= 2.28, r2= 2.78, r3= 4.00, r4= 4.50,  &end
#
# 17	mln	H17	13	C	H1'	2.83	4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 390, r1= 2.33, r2= 2.83, r3= 4.81, r4= 5.31,  &end
#
# 17	mln	H17	13	C	H6	2.98	4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 393, r1= 2.48, r2= 2.98, r3= 4.38, r4= 4.88,  &end
#
# 17	mln	H17	13	C	H3'	3.18	5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 404, r1= 2.68, r2= 3.18, r3= 5.08, r4= 5.58,  &end
#
# 17	mln	H17	13	C	H2'	2.46	4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 406, r1= 1.96, r2= 2.46, r3= 4.00, r4= 4.50,  &end
#
# 17	mln	H17	13	C	H2''	2.31	3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 407, r1= 1.81, r2= 2.31, r3= 3.49, r4= 3.99,  &end
#
# 17	mln	H17	14	C	H8	2.91	4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 423, r1= 2.41, r2= 2.91, r3= 4.49, r4= 4.99,  &end
#
# 17	mln	H18	13	C	H1'	2.90	3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 390, r1= 2.40, r2= 2.90, r3= 3.86, r4= 4.36,  &end
#
# 17	mln	H18	13	C	H2'	2.73	3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 406, r1= 2.23, r2= 2.73, r3= 3.71, r4= 4.21,  &end
#
# 17	mln	H18	13	C	H2''	2.71	4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 407, r1= 2.21, r2= 2.71, r3= 4.18, r4= 4.68,  &end
#
# 17	mln	H18	14	G	H1'	2.99	5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 420, r1= 2.49, r2= 2.99, r3= 5.48, r4= 5.98,  &end
#
# 17	mln	H18	14	G	H8	3.13	4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 423, r1= 2.63, r2= 3.13, r3= 4.96, r4= 5.46,  &end
#
# 17	mln	H18	17	mln	H17	2.23	2.48
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 522, r1= 1.73, r2= 2.23, r3= 2.48, r4= 2.98,  &end
#
# 17	mln	H19	17	mln	H17	1.96	2.33
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 522, r1= 1.46, r2= 1.96, r3= 2.33, r4= 2.83,  &end
#
# 17	mln	H19	17	mln	H18	3.25	6.13
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 523, r1= 2.75, r2= 3.25, r3= 6.13, r4= 6.63,  &end
#
# 17	mln	M2	13	C	H5	3.51	4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 3.01, r2= 3.51, r3= 4.86, r4= 5.36,
 igr1= 525, 526, 527,
 &end
#
# 17	mln	M2	17	mln	H17	3.99	6.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 3.49, r2= 3.99, r3= 8.06, r4= 8.56,
 igr1= 525, 526, 527,
 &end
#
# 17	mln	M2	17	mln	H19	2.75	3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 2.25, r2= 2.75, r3= 3.66, r4= 4.16,
 igr1= 525, 526, 527,
 &end
#
# 17	mln	H25	17	mln	H24	2.21	2.47
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 528, r1= 1.71, r2= 2.21, r3= 2.47, r4= 2.97,  &end
#
# 17	mln	H46	3	C	H5	2.62	4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  79, r1= 2.12, r2= 2.62, r3= 4.30, r4= 4.80,  &end
#
# 17	mln	H47	3	C	H5	2.78	3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  79, r1= 2.28, r2= 2.78, r3= 3.97, r4= 4.47,  &end
#
# 17	mln	H47	17	mln	M2	3.48	4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 2.98, r2= 3.48, r3= 5.80, r4= 6.30,
 igr2= 525, 526, 527,
 &end
#
# 17	mln	H51	17	mln	M2	3.29	4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 2.79, r2= 3.29, r3= 5.42, r4= 5.92,
 igr2= 525, 526, 527,
 &end
#
# 17	mln	H51	17	mln	H46	1.90	2.56
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 545, r1= 1.40, r2= 1.90, r3= 2.56, r4= 3.06,  &end
#
# 17	mln	H52	17	mln	M2	3.63	4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 3.13, r2= 3.63, r3= 5.74, r4= 6.24,
 igr2= 525, 526, 527,
 &end
#
# 17	mln	H52	17	mln	H46	1.98	2.32
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 545, r1= 1.48, r2= 1.98, r3= 2.32, r4= 2.82,  &end
#
# 17	mln	H52	17	mln	H47	2.05	2.26
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 546, r1= 1.55, r2= 2.05, r3= 2.26, r4= 2.76,  &end
#
# 17	mln	H52	17	mln	H51	2.38	3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 548, r1= 1.88, r2= 2.38, r3= 3.94, r4= 4.44,  &end
#
# 17	mln	H55	17	mln	H51	2.42	2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 548, r1= 1.92, r2= 2.42, r3= 2.78, r4= 3.28,  &end
#
# 17	mln	H56	17	mln	H51	1.84	2.09
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 548, r1= 1.34, r2= 1.84, r3= 2.09, r4= 2.59,  &end
#
# 17	mln	H56	17	mln	H52	2.39	3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 549, r1= 1.89, r2= 2.39, r3= 3.71, r4= 4.21,  &end
#
# 17	mln	H56	17	mln	H55	2.12	2.25
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 552, r1= 1.62, r2= 2.12, r3= 2.25, r4= 2.75,  &end
#
# 17	mln	H58	17	mln	H57	1.98	2.16
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 554, r1= 1.48, r2= 1.98, r3= 2.16, r4= 2.66,  &end
#
# 17	mln	H63	17	mln	H58	2.56	2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 555, r1= 2.06, r2= 2.56, r3= 2.74, r4= 3.24,  &end
#
# 17	mln	H64	11	C	H5	2.74	3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 332, r1= 2.24, r2= 2.74, r3= 3.88, r4= 4.38,  &end
#
# 17	mln	H64	17	mln	H63	2.15	2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 559, r1= 1.65, r2= 2.15, r3= 2.78, r4= 3.28,  &end
#
# 17	mln	H65	11	C	H5	2.82	4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 332, r1= 2.32, r2= 2.82, r3= 4.77, r4= 5.27,  &end
#
# 17	mln	H65	17	mln	H63	1.87	2.08
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 559, r1= 1.37, r2= 1.87, r3= 2.08, r4= 2.58,  &end
#
# 17	mln	M8	5	C	H5	3.56	4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 3.06, r2= 3.56, r3= 5.00, r4= 5.50,
 igr1= 577, 578, 579,
 &end
#
# 17	mln	M8	17	mln	H63	3.50	5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 3.00, r2= 3.50, r3= 6.21, r4= 6.71,
 igr1= 577, 578, 579,
 &end
#
# 17	mln	M8	17	mln	H65	3.39	4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 2.89, r2= 3.39, r3= 5.27, r4= 5.77,
 igr1= 577, 578, 579,
 &end
#
# 17	mln	H90	5	C	H1'	3.00	3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 137, r1= 2.50, r2= 3.00, r3= 3.93, r4= 4.43,  &end
#
# 17	mln	H90	5	C	H2'	2.77	3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 153, r1= 2.27, r2= 2.77, r3= 3.62, r4= 4.12,  &end
#
# 17	mln	H90	5	C	H2''	2.88	4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 154, r1= 2.38, r2= 2.88, r3= 4.03, r4= 4.53,  &end
#
# 17	mln	H90	6	G	H1'	2.93	4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 167, r1= 2.43, r2= 2.93, r3= 4.83, r4= 5.33,  &end
#
# 17	mln	H90	6	G	H8	3.24	4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 170, r1= 2.74, r2= 3.24, r3= 4.94, r4= 5.44,  &end
#
# 17	mln	H91	11	C	H1'	2.86	4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 327, r1= 2.36, r2= 2.86, r3= 4.20, r4= 4.70,  &end
#
# 17	mln	H91	11	C	H2'	2.14	3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 343, r1= 1.64, r2= 2.14, r3= 3.10, r4= 3.60,  &end
#
# 17	mln	H91	11	C	H2''	2.52	3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 344, r1= 2.02, r2= 2.52, r3= 3.75, r4= 4.25,  &end
#
# 17	mln	H91	12	G	H8	3.03	4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 360, r1= 2.53, r2= 3.03, r3= 4.58, r4= 5.08,  &end
#
# 17	mln	H91	17	mln	H88	2.22	2.54
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 580, r1= 1.72, r2= 2.22, r3= 2.54, r4= 3.04,  &end
#
# 17	mln	H91	17	mln	H89	3.22	5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 581, r1= 2.72, r2= 3.22, r3= 5.58, r4= 6.08,  &end
#
# 17	mln	H92	17	mln	M8	2.70	2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 2.20, r2= 2.70, r3= 3.57, r4= 4.07,
 igr2= 577, 578, 579,
 &end
#
# 17	mln	H92	17	mln	H90	3.14	4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 582, r1= 2.64, r2= 3.14, r3= 4.65, r4= 5.15,  &end
#
# 17	mln	H93	5	C	H1'	2.78	4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 137, r1= 2.28, r2= 2.78, r3= 4.37, r4= 4.87,  &end
#
# 17	mln	H93	5	C	H6	2.97	5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 140, r1= 2.47, r2= 2.97, r3= 5.02, r4= 5.52,  &end
#
# 17	mln	H93	5	C	H3'	3.08	5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 151, r1= 2.58, r2= 3.08, r3= 5.14, r4= 5.64,  &end
#
# 17	mln	H93	5	C	H2'	2.54	3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 153, r1= 2.04, r2= 2.54, r3= 3.33, r4= 3.83,  &end
#
# 17	mln	H93	5	C	H2''	2.67	3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 154, r1= 2.17, r2= 2.67, r3= 3.59, r4= 4.09,  &end
#
# 17	mln	H93	6	G	H8	2.85	4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 170, r1= 2.35, r2= 2.85, r3= 4.84, r4= 5.34,  &end
#
# 17	mln	H93	17	mln	M8	3.85	6.69
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 3.35, r2= 3.85, r3= 8.03, r4= 8.53,
 igr2= 577, 578, 579,
 &end
#
# 17	mln	H93	17	mln	H90	2.25	2.52
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 582, r1= 1.75, r2= 2.25, r3= 2.52, r4= 3.02,  &end
#
# 17	mln	H93	17	mln	H92	2.16	2.44
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 584, r1= 1.66, r2= 2.16, r3= 2.44, r4= 2.94,  &end
#
# 17	mln	H96	3	C	H1'	2.86	5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  74, r1= 2.36, r2= 2.86, r3= 5.04, r4= 5.54,  &end
#
# 17	mln	H96	3	C	H2'	2.20	3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  90, r1= 1.70, r2= 2.20, r3= 3.12, r4= 3.62,  &end
#
# 17	mln	H96	3	C	H2''	2.56	3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  91, r1= 2.06, r2= 2.56, r3= 3.75, r4= 4.25,  &end
#
# 17	mln	H96	4	G	H8	3.05	4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 107, r1= 2.55, r2= 3.05, r3= 4.83, r4= 5.33,  &end
#
# 17	mln	H96	17	mln	H24	3.27	4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 528, r1= 2.77, r2= 3.27, r3= 4.78, r4= 5.28,  &end
#
# 17	mln	H96	17	mln	H25	2.11	2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 529, r1= 1.61, r2= 2.11, r3= 2.40, r4= 2.90,  &end
#
#   1  T    H3     16  A    N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 495, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   1  T    N3     16  A    N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  21, 495, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   1  T    O4     16  A    H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 493, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   2  A    H61    15  T    O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 463, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   2  A    N1     15  T    H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 465, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   2  A    N1     15  T    N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 464, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   3  C    H42    14  G    O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 427, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   3  C    N3     14  G    H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 429, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   3  C    N3     14  G    N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 428, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   3  C    N4     14  G    O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 427, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   3  C    O2     14  G    H22     1.75   1.95  
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 433, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   4  G    H1     13  C    N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 400, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   4  G    H22    13  C    O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 402, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   4  G    N1     13  C    N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 400, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   4  G    O6     13  C    H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 399, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4  G    O6     13  C    N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 397, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   5  C    H42    12  G    O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 364, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5  C    N3     12  G    H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 366, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   5  C    N3     12  G    N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 365, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   5  C    N4     12  G    O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 364, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   5  C    O2     12  G    H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 370, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   6  G    H1     11  C    N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 337, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   6  G    H22    11  C    O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 339, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   6  G    N1     11  C    N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 337, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   6  G    O6     11  C    H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 336, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   6  G    O6     11  C    N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 334, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   7  T    H3     10  A    N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 305, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   7  T    N3     10  A    N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 305, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   7  T    O4     10  A    H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 303, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   8  A    H61     9  T    O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 273, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   8  A    N1      9  T    H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 275, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   8  A    N1      9  T    N3      2.72   2.92   
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 274, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
  Entry H atom name         Submitted Coord H atom name
    1    H5'   DT   1           H5'       DT   1  30.121  35.654  49.835
    2   H5''   DT   1          H5''       DT   1  30.574  36.862  48.616
    3    H4'   DT   1           H4'       DT   1  27.865  35.497  48.918
    4    H3'   DT   1           H3'       DT   1  30.128  35.155  46.954
    5    H2'   DT   1           H2'       DT   1  28.725  35.416  45.186
    6   H2''   DT   1          H2''       DT   1  27.480  34.360  45.905
    7    H1'   DT   1           H1'       DT   1  26.362  36.074  46.923
    8    H3    DT   1           H3        DT   1  24.660  38.410  43.426
    9    H72   DT   1           H71       DT   1  30.010  39.426  43.685
   10    H73   DT   1           H72       DT   1  29.146  39.470  42.130
   11    H71   DT   1           H73       DT   1  28.905  40.767  43.304
   12    H6    DT   1           H6        DT   1  29.110  37.930  45.208
   13   HO5'   DT   1          HO5'       DT   1  28.780  38.135  49.484
   14    H5'   DA   2           H5'       DA   2  26.626  32.043  46.966
   15   H5''   DA   2          H5''       DA   2  27.423  30.472  47.063
   16    H4'   DA   2           H4'       DA   2  25.440  30.288  45.728
   17    H3'   DA   2           H3'       DA   2  27.902  29.333  44.885
   18    H2'   DA   2           H2'       DA   2  28.379  30.951  43.279
   19   H2''   DA   2          H2''       DA   2  27.349  29.911  42.252
   20    H1'   DA   2           H1'       DA   2  25.484  31.283  42.477
   21    H8    DA   2           H8        DA   2  28.576  33.280  43.794
   22    H61   DA   2           H61       DA   2  26.588  37.606  39.732
   23    H62   DA   2           H62       DA   2  27.822  37.236  40.924
   24    H2    DA   2           H2        DA   2  23.935  34.170  39.417
   25    H5'   DC   3           H5'       DC   3  24.261  27.973  42.062
   26   H5''   DC   3          H5''       DC   3  24.514  26.335  41.439
   27    H4'   DC   3           H4'       DC   3  23.784  27.888  39.661
   28    H3'   DC   3           H3'       DC   3  26.397  26.527  39.494
   29    H2'   DC   3           H2'       DC   3  27.488  28.280  38.571
   30   H2''   DC   3          H2''       DC   3  26.383  28.221  37.183
   31    H1'   DC   3           H1'       DC   3  24.898  29.788  38.065
   32    H42   DC   3           H41       DC   3  29.724  34.137  39.434
   33    H41   DC   3           H42       DC   3  28.592  34.882  38.313
   34    H5    DC   3           H5        DC   3  29.480  31.859  40.198
   35    H6    DC   3           H6        DC   3  28.044  29.875  40.097
   36    H5'   DG   4           H5'       DG   4  25.409  27.548  35.265
   37   H5''   DG   4          H5''       DG   4  24.928  25.996  34.614
   38    H4'   DG   4           H4'       DG   4  26.122  26.927  32.876
   39    H3'   DG   4           H3'       DG   4  27.496  24.744  34.282
   40    H2'   DG   4           H2'       DG   4  29.371  26.035  34.576
   41   H2''   DG   4          H2''       DG   4  29.673  25.560  32.880
   42    H1'   DG   4           H1'       DG   4  28.494  27.584  32.082
   43    H8    DG   4           H8        DG   4  31.105  27.540  34.879
   44    H1    DG   4           H1        DG   4  30.719  33.173  31.770
   45    H22   DG   4           H21       DG   4  28.053  31.651  30.216
   46    H21   DG   4           H22       DG   4  29.034  33.117  30.364
   47    H5'   DC   5           H5'       DC   5  24.424  24.770  29.959
   48   H5''   DC   5          H5''       DC   5  24.658  23.372  28.928
   49    H4'   DC   5           H4'       DC   5  25.343  25.564  27.935
   50    H3'   DC   5           H3'       DC   5  27.135  23.180  27.998
   51    H2'   DC   5           H2'       DC   5  29.018  24.430  27.716
   52   H2''   DC   5          H2''       DC   5  28.273  25.390  26.412
   53    H1'   DC   5           H1'       DC   5  27.602  27.077  27.758
   54    H42   DC   5           H41       DC   5  32.831  27.063  31.818
   55    H41   DC   5           H42       DC   5  32.752  28.613  30.962
   56    H5    DC   5           H5        DC   5  31.303  25.262  31.331
   57    H6    DC   5           H6        DC   5  29.192  24.732  30.174
   58    H5'   DG   6           H5'       DG   6  28.058  22.697  22.803
   59   H5''   DG   6          H5''       DG   6  29.612  22.596  23.650
   60    H4'   DG   6           H4'       DG   6  28.435  25.206  22.627
   61    H3'   DG   6           H3'       DG   6  29.093  23.264  20.817
   62    H2'   DG   6           H2'       DG   6  31.266  22.810  21.678
   63   H2''   DG   6          H2''       DG   6  31.673  24.000  20.407
   64    H1'   DG   6           H1'       DG   6  31.821  25.768  21.908
   65    H8    DG   6           H8        DG   6  32.190  22.388  23.877
   66    H1    DG   6           H1        DG   6  36.396  27.079  25.252
   67    H22   DG   6           H21       DG   6  34.267  28.842  23.239
   68    H21   DG   6           H22       DG   6  35.663  28.886  24.347
   69    H5'   DT   7           H5'       DT   7  30.804  27.579  20.036
   70   H5''   DT   7          H5''       DT   7  30.549  27.978  18.333
   71    H4'   DT   7           H4'       DT   7  32.600  28.975  19.107
   72    H3'   DT   7           H3'       DT   7  32.542  27.250  16.834
   73    H2'   DT   7           H2'       DT   7  33.809  25.596  17.931
   74   H2''   DT   7          H2''       DT   7  35.160  26.550  17.260
   75    H1'   DT   7           H1'       DT   7  35.238  27.951  19.235
   76    H3    DT   7           H3        DT   7  37.883  26.010  22.348
   77    H71   DT   7           H71       DT   7  34.958  22.209  22.264
   78    H72   DT   7           H72       DT   7  34.346  22.252  20.592
   79    H73   DT   7           H73       DT   7  36.029  21.781  20.929
   80    H6    DT   7           H6        DT   7  34.215  24.371  19.679
   81    H5'   DA   8           H5'       DA   8  36.631  29.313  17.676
   82   H5''   DA   8          H5''       DA   8  37.224  30.068  16.187
   83    H4'   DA   8           H4'       DA   8  39.074  28.956  17.207
   84    H3'   DA   8           H3'       DA   8  38.026  27.830  14.663
   85   HO3'   DA   8          HO3'       DA   8  39.702  29.401  14.757
   86    H2'   DA   8           H2'       DA   8  38.333  25.697  15.348
   87   H2''   DA   8          H2''       DA   8  40.098  26.012  15.297
   88    H1'   DA   8           H1'       DA   8  40.140  26.708  17.591
   89    H8    DA   8           H8        DA   8  38.137  23.706  16.341
   90    H61   DA   8           H61       DA   8  39.750  21.283  21.876
   91    H62   DA   8           H62       DA   8  38.995  20.888  20.337
   92    H2    DA   8           H2        DA   8  40.979  25.420  21.864
   93    H5'   DT   9           H5'       DT   9  47.859  24.231  27.213
   94   H5''   DT   9          H5''       DT   9  46.935  22.726  27.025
   95    H4'   DT   9           H4'       DT   9  45.935  25.566  26.538
   96    H3'   DT   9           H3'       DT   9  45.869  24.029  28.923
   97    H2'   DT   9           H2'       DT   9  44.413  22.394  27.967
   98   H2''   DT   9          H2''       DT   9  43.217  23.534  28.691
   99    H1'   DT   9           H1'       DT   9  43.127  24.820  26.610
  100    H3    DT   9           H3        DT   9  40.923  22.900  23.062
  101    H72   DT   9           H71       DT   9  41.246  19.502  27.315
  102    H73   DT   9           H72       DT   9  39.667  19.798  26.554
  103    H71   DT   9           H73       DT   9  40.903  18.865  25.692
  104    H6    DT   9           H6        DT   9  42.446  21.449  27.392
  105   HO5'   DT   9          HO5'       DT   9  46.644  23.746  24.732
  106    H5'   DA  10           H5'       DA  10  46.054  27.833  26.657
  107   H5''   DA  10          H5''       DA  10  46.632  29.072  27.778
  108    H4'   DA  10           H4'       DA  10  45.755  30.217  25.894
  109    H3'   DA  10           H3'       DA  10  44.668  30.773  28.373
  110    H2'   DA  10           H2'       DA  10  42.713  29.552  28.209
  111   H2''   DA  10          H2''       DA  10  42.113  30.999  27.380
  112    H1'   DA  10           H1'       DA  10  42.331  30.080  25.265
  113    H8    DA  10           H8        DA  10  42.563  27.300  27.986
  114    H61   DA  10           H61       DA  10  38.382  24.444  24.248
  115    H62   DA  10           H62       DA  10  39.108  24.326  25.845
  116    H2    DA  10           H2        DA  10  39.534  28.126  22.365
  117    H5'   DC  11           H5'       DC  11  42.973  32.811  24.758
  118   H5''   DC  11          H5''       DC  11  42.585  34.526  24.926
  119    H4'   DC  11           H4'       DC  11  40.922  33.364  23.564
  120    H3'   DC  11           H3'       DC  11  40.189  34.908  25.856
  121    H2'   DC  11           H2'       DC  11  39.219  33.095  26.984
  122   H2''   DC  11          H2''       DC  11  37.824  33.504  25.927
  123    H1'   DC  11           H1'       DC  11  38.573  31.990  24.210
  124    H42   DC  11           H41       DC  11  38.214  26.829  28.319
  125    H41   DC  11           H42       DC  11  37.144  26.458  26.984
  126    H5    DC  11           H5        DC  11  39.343  28.880  28.626
  127    H6    DC  11           H6        DC  11  39.908  31.013  27.572
  128    H5'   DG  12           H5'       DG  12  35.877  34.943  24.068
  129   H5''   DG  12          H5''       DG  12  35.705  36.672  23.759
  130    H4'   DG  12           H4'       DG  12  33.817  36.040  24.975
  131    H3'   DG  12           H3'       DG  12  35.774  37.552  26.686
  132    H2'   DG  12           H2'       DG  12  34.733  36.827  28.575
  133   H2''   DG  12          H2''       DG  12  33.130  37.241  27.909
  134    H1'   DG  12           H1'       DG  12  32.749  35.175  27.017
  135    H8    DG  12           H8        DG  12  35.561  34.954  29.705
  136    H1    DG  12           H1        DG  12  31.476  29.968  29.427
  137    H22   DG  12           H21       DG  12  30.184  31.737  26.787
  138    H21   DG  12           H22       DG  12  30.084  30.267  27.758
  139    H5'   DC  13           H5'       DC  13  31.367  38.861  25.583
  140   H5''   DC  13          H5''       DC  13  30.921  40.506  26.064
  141    H4'   DC  13           H4'       DC  13  29.186  38.781  26.612
  142    H3'   DC  13           H3'       DC  13  30.390  40.521  28.698
  143    H2'   DC  13           H2'       DC  13  29.956  39.136  30.442
  144   H2''   DC  13          H2''       DC  13  28.346  38.721  29.849
  145    H1'   DC  13           H1'       DC  13  28.987  36.798  28.906
  146    H42   DC  13           H41       DC  13  34.070  35.450  32.924
  147    H41   DC  13           H42       DC  13  32.935  34.078  32.854
  148    H5    DC  13           H5        DC  13  33.718  37.420  31.544
  149    H6    DC  13           H6        DC  13  32.198  38.437  29.899
  150    H5'   DG  14           H5'       DG  14  26.357  38.951  28.869
  151   H5''   DG  14          H5''       DG  14  25.181  40.258  28.730
  152    H4'   DG  14           H4'       DG  14  24.315  38.317  29.998
  153    H3'   DG  14           H3'       DG  14  24.377  41.096  30.947
  154    H2'   DG  14           H2'       DG  14  24.876  40.592  33.090
  155   H2''   DG  14          H2''       DG  14  23.305  39.759  33.211
  156    H1'   DG  14           H1'       DG  14  24.204  37.661  32.709
  157    H8    DG  14           H8        DG  14  27.132  40.035  33.744
  158    H1    DG  14           H1        DG  14  26.510  34.624  37.191
  159    H22   DG  14           H21       DG  14  23.832  34.129  35.070
  160    H21   DG  14           H22       DG  14  24.808  33.451  36.382
  161    H5'   DT  15           H5'       DT  15  21.117  38.113  31.692
  162   H5''   DT  15          H5''       DT  15  19.463  38.695  31.848
  163    H4'   DT  15           H4'       DT  15  20.022  36.913  33.440
  164    H3'   DT  15           H3'       DT  15  18.869  39.435  34.264
  165    H2'   DT  15           H2'       DT  15  20.533  39.851  35.838
  166   H2''   DT  15          H2''       DT  15  19.635  38.663  36.829
  167    H1'   DT  15           H1'       DT  15  20.964  36.830  35.991
  168    H3    DT  15           H3        DT  15  24.485  37.001  38.876
  169    H71   DT  15           H71       DT  15  26.083  40.798  36.362
  170    H72   DT  15           H72       DT  15  24.556  41.520  35.808
  171    H73   DT  15           H73       DT  15  25.040  41.617  37.519
  172    H6    DT  15           H6        DT  15  22.838  40.009  35.480
  173    H5'   DA  16           H5'       DA  16  18.304  35.454  37.042
  174   H5''   DA  16          H5''       DA  16  16.543  35.419  37.180
  175    H4'   DA  16           H4'       DA  16  17.512  34.560  39.230
  176    H3'   DA  16           H3'       DA  16  15.566  36.566  39.152
  177   HO3'   DA  16          HO3'       DA  16  15.187  35.892  41.332
  178    H2'   DA  16           H2'       DA  16  17.042  38.331  39.647
  179   H2''   DA  16          H2''       DA  16  16.564  37.880  41.319
  180    H1'   DA  16           H1'       DA  16  18.453  36.446  41.581
  181    H8    DA  16           H8        DA  16  18.340  39.948  40.546
  182    H61   DA  16           H61       DA  16  24.472  40.148  41.825
  183    H62   DA  16           H62       DA  16  23.069  41.186  41.534
  184    H2    DA  16           H2        DA  16  23.324  36.029  41.755

  No H/Q in entry =         184