*HEADER    DNA                                     11-JUL-06   2HMD              
*TITLE     STEREOCHEMISTRY MODULATES STABILITY OF REDUCED INTER-STRAND           
*TITLE    2 CROSS-LINKS ARISING FROM R- AND S-ALPHA-METHYL-GAMMA-OH-1,           
*TITLE    3 N2-PROPANO-2'-DEOXYGUANINE IN THE 5'-CPG-3' DNA SEQUENCE             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA DODECAMER WITH INTERSTRAND CROSS-LINK;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: G7 OF CHAIN A AND B LINKED;                           
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: DNA DODECAMER WITH INTERSTRAND CROSS-LINK;                 
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES;                                                     
*COMPND  10 OTHER_DETAILS: G7 OF CHAIN A AND B LINKED                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    CROTONALDEHYDE INTERSTRAND DNA CROSS-LINK                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    Y.-J.CHO, I.D.KOZEKOV, T.M.HARRIS, C.J.RIZZO, M.P.STONE               
*REVDAT   1   13-MAR-07 2HMD    0                                                


#
#   1  GUA  H1     24  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 759, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, 
      rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
 &end
#
#   1  GUA  H22    24  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  23, 761, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   1  GUA  N1     24  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 759, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   1  GUA  O6     24  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 758, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   1  GUA  O6     24  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 756, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   2  CYT  H42    23  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 723, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   2  CYT  N3     23  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 725, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   2  CYT  N3     23  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 724, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   2  CYT  N4     23  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 723, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   2  CYT  O2     23  GUA  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  55, 729, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   3  THY  H3     22  ADE  N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 694, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   3  THY  N3     22  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 694, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   3  THY  O4     22  ADE  H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 692, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   4  ADE  H61    21  THY  O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 662, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   4  ADE  N1     21  THY  H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 664, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   4  ADE  N1     21  THY  N3      2.72   2.92  
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 663, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   5  GUA  H1     20  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 632, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   5  GUA  H22    20  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 634, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   5  GUA  N1     20  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 632, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   5  GUA  O6     20  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 631, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5  GUA  O6     20  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 629, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   6  CYT  H42    19  Y    O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 584, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   6  CYT  N3     19  Y    H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 585, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   6  CYT  N3     19  Y    N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 582, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   6  CYT  N4     19  Y    O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 584, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   6  CYT  O2     19  Y    H2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 580, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   7  X    H1     18  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 567, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   7  X    H2     18  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 569, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   7  X    N1     18  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 567, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   7  X    O6     18  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 566, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   7  X    O6     18  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 564, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   8  ADE  H61    17  THY  O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 535, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   8  ADE  N1     17  THY  H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 537, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   8  ADE  N1     17  THY  N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 536, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   9  GUA  H1     16  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 505, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   9  GUA  H22    16  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 507, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   9  GUA  N1     16  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 505, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   9  GUA  O6     16  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 504, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   9  GUA  O6     16  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 502, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  10  THY  H3     15  ADE  N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 473, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  10  THY  N3     15  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 473, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  10  THY  O4     15  ADE  H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 471, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  11  CYT  H42    14  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 437, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11  CYT  N3     14  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 439, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  11  CYT  N3     14  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 438, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  12  CYT  H42    13  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 404, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  12  CYT  N3     13  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 406, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  12  CYT  N3     13  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 405, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   1  GUA H1'    1  GUA H8      3.510    4.450 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 3.01, r2= 3.51, r3= 4.45, r4= 4.95, 
      rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
 &end
#
#   1  GUA H2'2   1  GUA H3'     2.810    3.350 m
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  27, r1= 2.31, r2= 2.61, r3= 3.35, r4= 3.85,  &end
#
#   1  GUA H3'    1  GUA H8      4.030    5.700 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 3.53, r2= 4.03, r3= 5.70, r4= 6.20,  &end
#
#   2  CYT H5     1  GUA H8      3.660    4.970 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  13, r1= 3.16, r2= 3.66, r3= 4.97, r4= 5.47,  &end
#
#   2  CYT H2'1   2  CYT H6      2.080    2.190 m
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  46, r1= 1.58, r2= 1.88, r3= 2.19, r4= 2.69,  &end
#
#   2  CYT H2'2   2  CYT H6      3.860    6.050 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  46, r1= 3.36, r2= 3.86, r3= 6.05, r4= 6.55,  &end
#
#   2  CYT H4'    2  CYT H2'1    3.760    5.320 
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  59, r1= 3.26, r2= 3.76, r3= 5.32, r4= 5.82,  &end
#
#   2  CYT H4'    2  CYT H2'2    3.010    3.280 M
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  60, r1= 2.51, r2= 3.01, r3= 4.28, r4= 4.78,  &end
#
#   2  CYT H5     2  CYT H6      2.310    2.460 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  46, r1= 1.81, r2= 2.31, r3= 2.46, r4= 2.96,  &end
#
#   3  THY M      2  CYT H6      3.530    3.830 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  46, r1= 3.03, r2= 3.53, r3= 4.60, r4= 5.10,
 igr1=  79,  80,  81,
 &end
#
#   5  GUA H3'    5  GUA H1'     3.370    3.680 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 137, r1= 2.87, r2= 3.37, r3= 3.68, r4= 4.18,  &end
#
#   5  GUA H8     5  GUA H1'     3.330    3.680 M
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 137, r1= 2.83, r2= 3.33, r3= 3.98, r4= 4.18,  &end
#
#   5  GUA H2'1   6  CYT H6      3.620    5.460 
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 173, r1= 3.12, r2= 3.62, r3= 5.46, r4= 5.96,  &end
#
#   6  CYT H5     5  GUA H2'2    2.730    2.920 
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 157, r1= 2.23, r2= 2.73, r3= 2.92, r4= 3.42,  &end
#
#   6  CYT H5     5  GUA H8      3.510    3.900 
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 140, r1= 3.01, r2= 3.51, r3= 3.90, r4= 4.40,  &end
#
#   6  CYT H6     5  GUA H1'     3.020    3.220 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 137, r1= 2.52, r2= 3.02, r3= 3.22, r4= 3.72,  &end
#
#   6  CYT H6     5  GUA H2'2    2.470    2.650 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 157, r1= 1.97, r2= 2.47, r3= 2.65, r4= 3.15,  &end
#
#   6  CYT H1'    6  CYT H2'1    2.760    3.880 
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 186, r1= 2.26, r2= 2.76, r3= 3.88, r4= 4.38,  &end
#
#   6  CYT H1'    6  CYT H2'2    2.020    2.250 
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 187, r1= 1.52, r2= 2.02, r3= 2.25, r4= 2.75,  &end
#
#   6  CYT H1'    6  CYT H3'     3.700    4.710 
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 184, r1= 3.20, r2= 3.70, r3= 4.71, r4= 5.21,  &end
#
#   6  CYT H1'    6  CYT H6      3.170    3.610 M
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 173, r1= 2.67, r2= 3.17, r3= 3.81, r4= 4.11,  &end
#
#   6  CYT H2'1   6  CYT H3'     2.380    2.580 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 184, r1= 1.88, r2= 2.38, r3= 2.58, r4= 3.08,  &end
#
#   6  CYT H2'1   6  CYT H6      2.210    2.450 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 173, r1= 1.71, r2= 2.21, r3= 2.45, r4= 2.95,  &end
#
#   6  CYT H2'2   6  CYT H3'     2.610    3.200 
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 184, r1= 2.11, r2= 2.61, r3= 3.20, r4= 3.70,  &end
#
#   6  CYT H2'2   6  CYT H6      2.950    4.390 
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 173, r1= 2.45, r2= 2.95, r3= 4.39, r4= 4.89,  &end
#
#   6  CYT H3'    6  CYT H6      3.170    3.520 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 173, r1= 2.67, r2= 3.17, r3= 3.52, r4= 4.02,  &end
#
#   6  CYT H5     6  CYT H6      2.290    2.420 
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 173, r1= 1.79, r2= 2.29, r3= 2.42, r4= 2.92,  &end
#
#   7    X H2x1   7    X H1x     2.160    2.380 M
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 222, r1= 1.66, r2= 2.16, r3= 2.98, r4= 3.38,  &end
#
#   7    X H2x1   7    X M       2.630    2.910 M(3.49->+0.3)
 &rst
  ixpk= 0, nxpk= 0, iat= 228,  -1, r1= 2.13, r2= 2.63, r3= 3.79, r4= 3.99,
 igr2= 224, 225, 226,
 &end
#
#   7    X H2x2   7    X H1x     2.300    2.550 M
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 222, r1= 1.80, r2= 2.30, r3= 3.05, r4= 3.45,  &end
#
#   7    X H2x2   7    X M       2.670    2.900 M(3.48->+0.3)
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 2.17, r2= 2.67, r3= 3.78, r4= 3.98,
 igr2= 224, 225, 226,
 &end
#
#   7    X M      7    X H1x     2.150    2.380 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.65, r2= 2.15, r3= 2.86, r4= 3.36,
 igr1= 224, 225, 226,
 &end
#
#   8  ADE H2     7    X M       4.000    4.240 
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 3.50, r2= 4.00, r3= 5.09, r4= 5.59,
 igr2= 224, 225, 226,
 &end
#
#   8  ADE H4'    7    X M       4.210    4.640 m
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 3.71, r2= 4.11, r3= 5.57, r4= 6.07,
 igr2= 224, 225, 226,
 &end
#
#   8  ADE H8     7    X H1'     2.880    3.160 
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 206, r1= 2.38, r2= 2.88, r3= 3.16, r4= 3.66,  &end
#
#   8  ADE H2'1   8  ADE H8      2.100    2.220 m
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 244, r1= 1.60, r2= 2.10, r3= 2.42, r4= 2.72,  &end
#
#   8  ADE H2'2   8  ADE H8      3.300    4.850 
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 244, r1= 2.80, r2= 3.30, r3= 4.85, r4= 5.35,  &end
#
#   8  ADE H8     8  ADE H1'     3.420    4.060 
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 241, r1= 2.92, r2= 3.42, r3= 4.06, r4= 4.56,  &end
#
#   9  GUA H8     9  GUA H1'     3.380    4.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 273, r1= 2.88, r2= 3.38, r3= 4.00, r4= 4.50,  &end
#
#  10  THY H6     9  GUA H1'     3.170    3.430 m
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 273, r1= 2.17, r2= 2.67, r3= 3.43, r4= 3.93,  &end
#
#  10  THY M      9  GUA H1'     4.580    5.750 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 4.08, r2= 4.58, r3= 6.91, r4= 7.41,
 igr1= 312, 313, 314,
 &end
#
#  10  THY M      9  GUA H2'1    3.470    3.730 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 2.97, r2= 3.47, r3= 4.48, r4= 4.98,
 igr1= 312, 313, 314,
 &end
#
#  10  THY M      9  GUA H3'     4.200    4.510 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 3.70, r2= 4.20, r3= 5.42, r4= 5.92,
 igr1= 312, 313, 314,
 &end
#
#  10  THY M      9  GUA H8      3.530    3.730 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 276, r1= 3.03, r2= 3.53, r3= 4.48, r4= 4.98,
 igr1= 312, 313, 314,
 &end
#
#  10  THY H1'   10  THY H6      3.580    4.350 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 309, r1= 3.08, r2= 3.58, r3= 4.35, r4= 4.85,  &end
#
#  10  THY M     10  THY H6      2.810    2.950 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 309, r1= 2.31, r2= 2.81, r3= 3.54, r4= 4.04,
 igr1= 312, 313, 314,
 &end
#
#  10  THY H1'   11  CYT H6      3.410    4.380 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 341, r1= 2.91, r2= 3.41, r3= 4.38, r4= 4.88,  &end
#
#  11  CYT H5    10  THY H2'1    3.580    5.550 m
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 324, r1= 2.88, r2= 3.18, r3= 5.55, r4= 6.05,  &end
#
#  11  CYT H5    10  THY H6      3.290    3.590 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 309, r1= 2.79, r2= 3.29, r3= 3.59, r4= 4.09,  &end
#
#  11  CYT H2'1  11  CYT H5      4.050    5.890 
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 343, r1= 3.55, r2= 4.05, r3= 5.89, r4= 6.39,  &end
#
#  11  CYT H5    11  CYT H6      2.250    2.380 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 341, r1= 1.75, r2= 2.25, r3= 2.38, r4= 2.88,  &end
#
#  11  CYT H1'   15  ADE H2      3.720    4.200 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 475, r1= 3.22, r2= 3.72, r3= 4.20, r4= 4.70,  &end
#
#  12  CYT H3'   12  CYT H1'     4.460    5.790 m
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 368, r1= 3.46, r2= 3.96, r3= 5.79, r4= 6.29,  &end
#
#  12  CYT H4'   12  CYT H1'     3.060    3.230 
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 368, r1= 2.56, r2= 3.06, r3= 3.23, r4= 3.73,  &end
#
#  12  CYT H6    12  CYT H1'     3.470    4.610 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 368, r1= 2.97, r2= 3.47, r3= 4.61, r4= 5.11,  &end
#
#  13  GUA H1'   13  GUA H3'     3.920    5.060 m
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 414, r1= 3.42, r2= 3.82, r3= 5.06, r4= 5.56,  &end
#
#  13  GUA H3'   13  GUA H8      4.620    7.300 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 400, r1= 4.12, r2= 4.62, r3= 7.30, r4= 7.80,  &end
#
#  13  GUA H1'   14  GUA H8      3.430    3.910 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 433, r1= 2.93, r2= 3.43, r3= 3.91, r4= 4.41,  &end
#
#  14  GUA H1'   14  GUA H8      3.500    5.140 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 433, r1= 3.00, r2= 3.50, r3= 5.14, r4= 5.64,  &end
#
#  14  GUA H3'   14  GUA H8      3.810    5.590 
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 433, r1= 3.31, r2= 3.81, r3= 5.59, r4= 6.09,  &end
#
#  15  ADE H8    14  GUA H8      4.540    6.590 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 433, r1= 4.04, r2= 4.54, r3= 6.59, r4= 7.09,  &end
#
#  15  ADE H2    15  ADE H1'     4.030    5.080 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 463, r1= 3.53, r2= 4.03, r3= 5.08, r4= 5.58,  &end
#
#  15  ADE H2'1  15  ADE H1'     2.950    3.450 
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 463, r1= 2.45, r2= 2.95, r3= 3.45, r4= 3.95,  &end
#
#  15  ADE H2'2  15  ADE H1'     2.300    2.400 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 463, r1= 1.80, r2= 2.30, r3= 2.40, r4= 2.90,  &end
#
#  15  ADE H3'   15  ADE H1'     3.540    4.410 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 463, r1= 3.04, r2= 3.54, r3= 4.41, r4= 4.91,  &end
#
#  15  ADE H4'   15  ADE H1'     3.070    3.210 
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 463, r1= 2.57, r2= 3.07, r3= 3.21, r4= 3.71,  &end
#
#  15  ADE H8    15  ADE H1'     3.470    4.310 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 463, r1= 2.97, r2= 3.47, r3= 4.31, r4= 4.81,  &end
#
#  16  CYT H1'   15  ADE H2      3.320    3.520 
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 475, r1= 2.82, r2= 3.32, r3= 3.52, r4= 4.02,  &end
#
#  16  CYT H5    15  ADE H2'2    3.460    4.440 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 482, r1= 2.96, r2= 3.46, r3= 4.44, r4= 4.94,  &end
#
#  16  CYT H5    15  ADE H8      3.400    3.660 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 466, r1= 2.90, r2= 3.40, r3= 3.66, r4= 4.16,  &end
#
#  16  CYT H6    15  ADE H1'     3.150    3.380 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 463, r1= 2.65, r2= 3.15, r3= 3.38, r4= 3.88,  &end
#
#  16  CYT H6    15  ADE H2'1    3.180    3.850 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 481, r1= 2.68, r2= 3.18, r3= 3.85, r4= 4.35,  &end
#
#  16  CYT H6    15  ADE H2'2    2.500    2.660 m
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 482, r1= 1.50, r2= 2.00, r3= 2.66, r4= 3.16,  &end
#
#  16  CYT H6    15  ADE H8      3.730    5.100 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 466, r1= 3.23, r2= 3.73, r3= 5.10, r4= 5.60,  &end
#
#  16  CYT H2'1  16  CYT H6      2.320    2.470 m
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 498, r1= 1.32, r2= 1.82, r3= 2.47, r4= 2.97,  &end
#
#  16  CYT H3'   16  CYT H6      3.510    4.070 m
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 498, r1= 3.01, r2= 3.31, r3= 4.07, r4= 4.57,  &end
#
#  16  CYT H4'   16  CYT H2'1    3.760    4.810 
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 511, r1= 3.26, r2= 3.76, r3= 4.81, r4= 5.31,  &end
#
#  16  CYT H5    16  CYT H6      2.360    2.480 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 498, r1= 1.86, r2= 2.36, r3= 2.48, r4= 2.98,  &end
#
#  16  CYT H6    16  CYT H1'     3.360    3.700 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 495, r1= 2.86, r2= 3.36, r3= 3.70, r4= 4.20,  &end
#
#  16  CYT H2'2  17  THY M       3.900    5.680 
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 3.40, r2= 3.90, r3= 6.82, r4= 7.32,
 igr2= 531, 532, 533,
 &end
#
#  17  THY H6    16  CYT H1'     4.000    5.410 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 495, r1= 3.50, r2= 4.00, r3= 5.41, r4= 5.91,  &end
#
#  17  THY H6    16  CYT H3'     4.140    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 509, r1= 3.64, r2= 4.14, r3= 6.00, r4= 6.50,  &end
#
#  17  THY M     16  CYT H3'     3.690    3.890 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 509, r1= 3.19, r2= 3.69, r3= 4.67, r4= 5.17,
 igr1= 531, 532, 533,
 &end
#
#  17  THY M     16  CYT H5      4.060    4.270 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 3.56, r2= 4.06, r3= 5.13, r4= 5.63,
 igr1= 531, 532, 533,
 &end
#
#  17  THY M     16  CYT H6      3.490    3.700 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 2.99, r2= 3.49, r3= 4.44, r4= 4.94,
 igr1= 531, 532, 533,
 &end
#
#  17  THY H1'   17  THY H6      3.080    3.790 
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 528, r1= 2.58, r2= 3.08, r3= 3.79, r4= 4.29,  &end
#
#  17  THY M     17  THY H6      2.830    2.970 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 2.33, r2= 2.83, r3= 3.57, r4= 4.07,
 igr1= 531, 532, 533,
 &end
#
#  17  THY H1'   18  CYT H6      3.790    4.870 
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 560, r1= 3.29, r2= 3.79, r3= 4.87, r4= 5.37,  &end
#
#  18  CYT H5    17  THY H6      3.120    3.440 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 528, r1= 2.62, r2= 3.12, r3= 3.44, r4= 3.94,  &end
#
#  18  CYT H2'1  18  CYT H1'     4.120    6.260 m
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 557, r1= 2.42, r2= 2.92, r3= 6.26, r4= 6.76,  &end
#
#  18  CYT H2'2  18  CYT H1'     2.250    2.350 
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 557, r1= 1.75, r2= 2.25, r3= 2.35, r4= 2.85,  &end
#
#  18  CYT H3'   18  CYT H6      3.540    4.480 
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 560, r1= 3.04, r2= 3.54, r3= 4.48, r4= 4.98,  &end
#
#  19    Y H3x1   7    X H2x1    2.080    2.920 
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 228, r1= 1.58, r2= 2.08, r3= 2.92, r4= 3.42,  &end
#
#  19    Y H3x1   7    X H2x2    2.060    2.810 
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 229, r1= 1.56, r2= 2.06, r3= 2.81, r4= 3.31,  &end
#
#  19    Y H3x1   7    X M       3.490    5.310 m
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 2.99, r2= 3.29, r3= 6.38, r4= 6.88,
 igr2= 224, 225, 226,
 &end
#
#  19    Y H3x2   7    X H2x2    2.160    2.880 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 229, r1= 1.66, r2= 2.16, r3= 2.88, r4= 3.38,  &end
#
#  19    Y H3x2   7    X M       2.830    3.160 m(3.79->+0.8)
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 2.33, r2= 2.83, r3= 4.59, r4= 4.99,
 igr2= 224, 225, 226,
 &end
#
#  19    Y H8    18  CYT H1'     3.720    4.850 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 557, r1= 3.22, r2= 3.72, r3= 4.85, r4= 5.35,  &end
#
#  19    Y H8    18  CYT H2'2    3.010    3.430 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 574, r1= 2.51, r2= 3.01, r3= 3.43, r4= 3.93,  &end
#
#  19    Y H1'   19    Y H8      3.560    5.130 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 591, r1= 3.06, r2= 3.56, r3= 5.13, r4= 5.63,  &end
#
#  20  CYT H1'   19    Y H3x2    2.460    2.620 m
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 578, r1= 1.96, r2= 2.26, r3= 2.62, r4= 3.12,  &end
#
#  20  CYT H5    19    Y H8      3.530    4.520 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 591, r1= 3.03, r2= 3.53, r3= 4.52, r4= 5.02,  &end
#
#  20  CYT H6    19    Y H2'1    3.120    3.730 m
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 598, r1= 2.62, r2= 3.12, r3= 3.93, r4= 4.23,  &end
#
#  21  THY H5'1  20  CYT H1'     3.390    5.130 
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 622, r1= 2.89, r2= 3.39, r3= 5.13, r4= 5.63,  &end
#
#  22  ADE H8    21  THY H2'1    4.010    6.510 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 670, r1= 3.51, r2= 4.01, r3= 6.51, r4= 7.01,  &end
#
#  22  ADE H3'   23  GUA H8      3.810    5.020 
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 719, r1= 3.31, r2= 3.81, r3= 5.02, r4= 5.52,  &end
#
#  23  GUA H1'   23  GUA H3'     3.580    4.160 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 733, r1= 3.08, r2= 3.58, r3= 4.16, r4= 4.66,  &end
#
#  24  CYT H1'   24  CYT H3'     3.650    4.570 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 763, r1= 3.15, r2= 3.65, r3= 4.57, r4= 5.07,  &end
#
#   1  GUA H2'1   1  GUA H8      2.120    2.300 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 1.62, r2= 2.12, r3= 2.30, r4= 2.80, 
      rk2=25.0, rk3=25.0, ir6=1, ialtd=0,
 &end
#
#   1  GUA H2'2   1  GUA H8      2.970    4.960 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  13, r1= 2.47, r2= 2.97, r3= 4.96, r4= 5.46,  &end
#
#   1  GUA H4'    1  GUA H2'1    2.940    3.460 M
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  29, r1= 2.44, r2= 2.94, r3= 3.96, r4= 4.46,  &end
#
#   2  CYT H6     1  GUA H2'2    2.400    2.600 
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  30, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10,  &end
#
#   2  CYT H1'    2  CYT H6      3.190    3.810 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  46, r1= 2.69, r2= 3.19, r3= 3.81, r4= 4.31,  &end
#
#   3  THY M      2  CYT H2'2    3.700    4.360 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  60, r1= 3.20, r2= 3.70, r3= 5.24, r4= 5.74,
 igr1=  79,  80,  81,
 &end
#
#   3  THY H1'    3  THY H6      3.140    3.590 M
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  76, r1= 2.64, r2= 3.14, r3= 3.79, r4= 4.09,  &end
#
#   3  THY H2'1   4  ADE H8      3.070    3.350 
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 108, r1= 2.57, r2= 3.07, r3= 3.35, r4= 3.85,  &end
#
#   4  ADE H4'    4  ADE H2'1    3.240    4.010 
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 123, r1= 2.74, r2= 3.24, r3= 4.01, r4= 4.51,  &end
#
#   4  ADE H4'    4  ADE H2'2    3.450    4.390 
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 124, r1= 2.95, r2= 3.45, r3= 4.39, r4= 4.89,  &end
#
#   4  ADE H1'    5  GUA H8      3.060    3.330 m
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 140, r1= 2.56, r2= 2.76, r3= 3.33, r4= 3.83,  &end
#
#   4  ADE H3'    5  GUA H8      3.680    4.590 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 140, r1= 3.18, r2= 3.68, r3= 4.59, r4= 5.09,  &end
#
#   5  GUA H8     4  ADE H2'1    2.810    3.380 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 123, r1= 2.31, r2= 2.81, r3= 3.38, r4= 3.88,  &end
#
#   5  GUA H8     4  ADE H2'2    2.570    2.830 m
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 124, r1= 2.07, r2= 2.37, r3= 2.83, r4= 3.33,  &end
#
#   5  GUA H2'2   5  GUA H8      2.730    4.160 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 140, r1= 2.23, r2= 2.73, r3= 4.16, r4= 4.66,  &end
#
#   5  GUA H4'    5  GUA H1'     2.770    2.970 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 137, r1= 2.27, r2= 2.77, r3= 2.97, r4= 3.47,  &end
#
#   5  GUA H2'1   6  CYT H5      4.000    6.140 
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 175, r1= 3.50, r2= 4.00, r3= 6.14, r4= 6.64,  &end
#
#   6  CYT H5     5  GUA H1'     3.610    4.610 
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 137, r1= 3.11, r2= 3.61, r3= 4.61, r4= 5.11,  &end
#
#   6  CYT H2'2   6  CYT H2'1    1.800    2.100 
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 186, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
#   7    X H8     6  CYT H2'2    3.090    3.580 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 187, r1= 2.59, r2= 3.09, r3= 3.58, r4= 4.08,  &end
#
#   7    X H3'    7    X H1'     3.130    3.510 M
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 206, r1= 2.63, r2= 3.13, r3= 4.01, r4= 4.31,  &end
#
#   7    X H3'    7    X H8      3.430    4.710 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 211, r1= 2.93, r2= 3.43, r3= 4.71, r4= 5.21,  &end
#
#   8  ADE H3'    8  ADE H8      3.320    4.660 
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 244, r1= 2.82, r2= 3.32, r3= 4.66, r4= 5.16,  &end
#
#   9  GUA H8     8  ADE H3'     4.430    5.720 
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 257, r1= 3.93, r2= 4.43, r3= 5.72, r4= 6.22,  &end
#
#   9  GUA H8     8  ADE H8      3.790    5.700 
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 244, r1= 3.29, r2= 3.79, r3= 5.70, r4= 6.20,  &end
#
#   9  GUA H2'1   9  GUA H8      2.240    2.400 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 276, r1= 1.74, r2= 2.24, r3= 2.40, r4= 2.90,  &end
#
#   9  GUA H3'    9  GUA H1'     3.510    4.310 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 273, r1= 3.01, r2= 3.51, r3= 4.31, r4= 4.81,  &end
#
#   9  GUA H2'2  10  THY H6      2.460    2.740 m
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 309, r1= 1.76, r2= 2.06, r3= 2.74, r4= 3.24,  &end
#
#   9  GUA H2'2  10  THY M       3.320    3.760 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 2.82, r2= 3.32, r3= 4.52, r4= 5.02,
 igr2= 312, 313, 314,
 &end
#
#  10  THY H6     9  GUA H2'1    2.750    3.490 
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 292, r1= 2.25, r2= 2.75, r3= 3.49, r4= 3.99,  &end
#
#  10  THY H6     9  GUA H8      3.720    5.160 
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 276, r1= 3.22, r2= 3.72, r3= 5.16, r4= 5.66,  &end
#
#  10  THY H2'1  10  THY H6      2.080    2.280 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 309, r1= 1.58, r2= 2.08, r3= 2.28, r4= 2.78,  &end
#
#  10  THY H2'2  10  THY H6      3.000    4.630 
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 309, r1= 2.50, r2= 3.00, r3= 4.63, r4= 5.13,  &end
#
#  10  THY H3'   10  THY H6      3.170    3.780 M
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 309, r1= 2.67, r2= 3.17, r3= 4.28, r4= 4.58,  &end
#
#  11  CYT H5    10  THY H3'     3.650    4.420 M
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 322, r1= 3.15, r2= 3.65, r3= 5.42, r4= 5.92,  &end
#
#  11  CYT H5    10  THY M       4.330    4.860 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 3.83, r2= 4.33, r3= 5.84, r4= 6.34,
 igr2= 312, 313, 314,
 &end
#
#  11  CYT H6    10  THY H2'1    3.030    4.450 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 324, r1= 2.53, r2= 3.03, r3= 4.45, r4= 4.95,  &end
#
#  11  CYT H6    10  THY H6      3.670    5.670 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 309, r1= 3.17, r2= 3.67, r3= 5.67, r4= 6.17,  &end
#
#  11  CYT H1'   11  CYT H2'1    3.600    5.470 m
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 354, r1= 2.09, r2= 2.59, r3= 5.47, r4= 5.97,  &end
#
#  11  CYT H1'   11  CYT H2'2    2.040    2.190 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.54, r2= 2.04, r3= 2.19, r4= 2.69,  &end
#
#  11  CYT H2'1  11  CYT H6      2.000    2.170 
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 341, r1= 1.50, r2= 2.00, r3= 2.17, r4= 2.67,  &end
#
#  11  CYT H4'   11  CYT H2'1    3.120    4.040 
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 354, r1= 2.62, r2= 3.12, r3= 4.04, r4= 4.54,  &end
#
#  12  CYT H5    11  CYT H6      3.390    4.340 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 341, r1= 2.89, r2= 3.39, r3= 4.34, r4= 4.84,  &end
#
#  12  CYT H3'   12  CYT H6      2.770    3.090 
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 371, r1= 2.27, r2= 2.77, r3= 3.09, r4= 3.59,  &end
#
#  12  CYT H4'   12  CYT H3'     2.470    2.620 M
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 382, r1= 1.97, r2= 2.47, r3= 2.92, r4= 3.32,  &end
#
#  13  GUA H1'   13  GUA H8      3.210    3.610 M
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 400, r1= 2.71, r2= 3.21, r3= 3.91, r4= 4.11,  &end
#
#  13  GUA H2'1  13  GUA H8      2.100    2.300 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 400, r1= 1.60, r2= 2.10, r3= 2.30, r4= 2.80,  &end
#
#  13  GUA H2'2  13  GUA H8      2.700    4.060 
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 400, r1= 2.20, r2= 2.70, r3= 4.06, r4= 4.56,  &end
#
#  14  GUA H8    13  GUA H2'2    2.310    2.520 
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 417, r1= 1.81, r2= 2.31, r3= 2.52, r4= 3.02,  &end
#
#  14  GUA H1'   14  GUA H3'     3.260    3.670 M
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 447, r1= 2.76, r2= 3.26, r3= 3.97, r4= 4.17,  &end
#
#  14  GUA H2'1  14  GUA H8      2.000    2.190 M
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 433, r1= 1.50, r2= 2.00, r3= 2.29, r4= 2.69,  &end
#
#  16  CYT H5    15  ADE H2'1    3.290    4.120 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 481, r1= 2.79, r2= 3.29, r3= 4.12, r4= 4.62,  &end
#
#  16  CYT H6    15  ADE H3'     3.840    5.010 
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 479, r1= 3.34, r2= 3.84, r3= 5.01, r4= 5.51,  &end
#
#  17  THY H6    16  CYT H2'1    2.870    4.160 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 511, r1= 2.37, r2= 2.87, r3= 4.16, r4= 4.66,  &end
#
#  17  THY M     16  CYT H1'     4.900    6.580 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 495, r1= 4.40, r2= 4.90, r3= 7.90, r4= 8.40,
 igr1= 531, 532, 533,
 &end
#
#  17  THY M     16  CYT H2'1    3.020    3.270 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 2.52, r2= 3.02, r3= 3.93, r4= 4.43,
 igr1= 531, 532, 533,
 &end
#
#  17  THY H2'1  17  THY H6      1.940    2.090 
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 528, r1= 1.44, r2= 1.94, r3= 2.09, r4= 2.59,  &end
#
#  18  CYT H1'    8  ADE H2      3.810    4.480 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 253, r1= 3.31, r2= 3.81, r3= 4.48, r4= 4.98,  &end
#
#  18  CYT H2'1  18  CYT H3'     2.630    2.850 m
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 571, r1= 2.13, r2= 2.43, r3= 2.85, r4= 3.35,  &end
#
#  18  CYT H2'1  18  CYT H5      3.700    5.240 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 562, r1= 3.20, r2= 3.70, r3= 5.24, r4= 5.74,  &end
#
#  18  CYT H2'1  18  CYT H6      2.100    2.240 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 560, r1= 1.60, r2= 2.10, r3= 2.24, r4= 2.74,  &end
#
#  18  CYT H2'2  18  CYT H3'     2.850    3.350 
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 571, r1= 2.35, r2= 2.85, r3= 3.35, r4= 3.85,  &end
#
#  18  CYT H6    18  CYT H1'     3.190    3.460 M
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 557, r1= 2.69, r2= 3.19, r3= 3.96, r4= 4.46,  &end
#
#  19    Y H3x1   7    X H1x     2.160    2.420 
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 222, r1= 1.66, r2= 2.16, r3= 2.42, r4= 2.92,  &end
#
#  19    Y H3x2   7    X H2x1    2.090    2.590 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 228, r1= 1.59, r2= 2.09, r3= 2.59, r4= 3.09,  &end
#
#  19    Y H8    18  CYT H2'1    2.850    3.130 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 573, r1= 2.35, r2= 2.85, r3= 3.13, r4= 3.63,  &end
#
#  19    Y H2'1  19    Y H8      2.100    2.290 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 591, r1= 1.60, r2= 2.10, r3= 2.29, r4= 2.79,  &end
#
#  19    Y H2'2  19    Y H8      2.500    3.540 
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 591, r1= 2.00, r2= 2.50, r3= 3.54, r4= 4.04,  &end
#
#  19    Y H3'   19    Y H8      3.530    4.950 
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 591, r1= 3.03, r2= 3.53, r3= 4.95, r4= 5.45,  &end
#
#  20  CYT H6    19    Y H2'2    2.550    2.820 m
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 597, r1= 1.55, r2= 2.05, r3= 2.82, r4= 3.32,  &end
#
#  20  CYT H5    20  CYT H6      2.260    2.420 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 625, r1= 1.76, r2= 2.26, r3= 2.42, r4= 2.92,  &end
#
#  20  CYT H2'2  21  THY M       3.690    5.200 
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 3.19, r2= 3.69, r3= 6.24, r4= 6.74,
 igr2= 658, 659, 660,
 &end
#
#  21  THY M     20  CYT H2'1    3.070    3.360 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 2.57, r2= 3.07, r3= 4.04, r4= 4.54,
 igr1= 658, 659, 660,
 &end
#
#  21  THY M     20  CYT H3'     3.790    4.080 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 3.29, r2= 3.79, r3= 4.90, r4= 5.40,
 igr1= 658, 659, 660,
 &end
#
#  21  THY H1'   21  THY H6      3.160    4.650 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 655, r1= 2.66, r2= 3.16, r3= 4.65, r4= 5.15,  &end
#
#  22  ADE H1'   23  GUA H8      3.040    3.340 
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 719, r1= 2.54, r2= 3.04, r3= 3.34, r4= 3.84,  &end
#
#  22  ADE H2'1  23  GUA H8      2.770    3.200 
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 719, r1= 2.27, r2= 2.77, r3= 3.20, r4= 3.70,  &end
#
#  22  ADE H2'2  23  GUA H8      2.570    2.830 m
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 719, r1= 1.87, r2= 2.27, r3= 2.83, r4= 3.33,  &end
#
#  23  GUA H2'2  23  GUA H8      2.790    4.050 
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 719, r1= 2.29, r2= 2.79, r3= 4.05, r4= 4.55,  &end
#
#  24  CYT H1'   24  CYT H2'1    2.870    4.320 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 765, r1= 2.37, r2= 2.87, r3= 4.32, r4= 4.82,  &end
#
#  24  CYT H1'   24  CYT H2'2    2.120    2.290 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 766, r1= 1.62, r2= 2.12, r3= 2.29, r4= 2.79,  &end
#
#  24  CYT H2'1  24  CYT H3'     2.420    2.640 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 763, r1= 1.92, r2= 2.42, r3= 2.64, r4= 3.14,  &end
#
#  24  CYT H3'   24  CYT H6      2.940    3.290 
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 752, r1= 2.44, r2= 2.94, r3= 3.29, r4= 3.79,  &end
#
#  24  CYT H5    24  CYT H6      2.430    2.570 
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 752, r1= 1.93, r2= 2.43, r3= 2.57, r4= 3.07,  &end
#
#   1  GUA H4'    1  GUA H2'2    3.210    4.020 M
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  30, r1= 2.71, r2= 3.21, r3= 4.12, r4= 4.52, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   2  CYT H6     1  GUA H8      3.560    4.510 M
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  13, r1= 3.06, r2= 3.56, r3= 5.01, r4= 5.51,  &end
#
#   2  CYT H2'1   2  CYT H5      3.660    5.240 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  48, r1= 3.16, r2= 3.66, r3= 5.24, r4= 5.74,  &end
#
#   5  GUA H3'    5  GUA H8      3.330    5.030 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 140, r1= 2.83, r2= 3.33, r3= 5.03, r4= 5.53,  &end
#
#   6  CYT H6     5  GUA H3'     3.700    4.750 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 154, r1= 3.20, r2= 3.70, r3= 4.75, r4= 5.25,  &end
#
#   7    X H5'1   6  CYT H2'2    2.890    3.500 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 187, r1= 2.39, r2= 2.89, r3= 3.50, r4= 4.00,  &end
#
#   7    X H8     6  CYT H2'1    2.970    3.560 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 186, r1= 2.47, r2= 2.97, r3= 3.56, r4= 4.06,  &end
#
#   7    X H1x    7    X H1'     3.290    4.550 
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 206, r1= 2.79, r2= 3.29, r3= 4.55, r4= 5.05,  &end
#
#   8  ADE H1'    7    X H1x     3.330    3.920 M
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 222, r1= 2.83, r2= 3.33, r3= 4.96, r4= 5.46,  &end
#
#   8  ADE H1'    7    X M       3.340    3.620 m
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 2.54, r2= 2.94, r3= 4.35, r4= 4.85,
 igr2= 224, 225, 226,
 &end
#
#   9  GUA H1'    8  ADE H2      3.540    3.930 
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 253, r1= 3.04, r2= 3.54, r3= 3.93, r4= 4.43,  &end
#
#  10  THY H6     9  GUA H3'     3.340    4.390 M
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 290, r1= 2.84, r2= 3.34, r3= 4.99, r4= 5.49,  &end
#
#  10  THY H2'1  10  THY M       4.490    6.220 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 3.99, r2= 4.49, r3= 7.47, r4= 7.97,
 igr2= 312, 313, 314,
 &end
#
#  11  CYT H1'   11  CYT H6      3.300    3.810 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 341, r1= 2.80, r2= 3.30, r3= 3.81, r4= 4.31,  &end
#
#  11  CYT H1'   12  CYT H6      3.700    5.930 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 371, r1= 3.20, r2= 3.70, r3= 5.93, r4= 6.43,  &end
#
#  14  GUA H8    13  GUA H2'1    2.880    4.210 
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 416, r1= 2.38, r2= 2.88, r3= 4.21, r4= 4.71,  &end
#
#  14  GUA H8    13  GUA H3'     3.520    4.700 
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 414, r1= 3.02, r2= 3.52, r3= 4.70, r4= 5.20,  &end
#
#  15  ADE H4'   15  ADE H2'1    3.290    4.660 
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 481, r1= 2.79, r2= 3.29, r3= 4.66, r4= 5.16,  &end
#
#  15  ADE H4'   15  ADE H2'2    3.470    4.710 
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 482, r1= 2.97, r2= 3.47, r3= 4.71, r4= 5.21,  &end
#
#  15  ADE H4'   15  ADE H8      4.050    5.750 
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 466, r1= 3.55, r2= 4.05, r3= 5.75, r4= 6.25,  &end
#
#  16  CYT H1'   15  ADE H1'     3.370    3.700 M
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 463, r1= 2.87, r2= 3.37, r3= 4.70, r4= 5.20,  &end
#
#  16  CYT H5    15  ADE H1'     3.820    4.790 
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 463, r1= 3.32, r2= 3.82, r3= 4.79, r4= 5.29,  &end
#
#  17  THY H2'1  17  THY M       4.310    6.080 
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 3.81, r2= 4.31, r3= 7.30, r4= 7.80,
 igr2= 531, 532, 533,
 &end
#
#  17  THY H3'   18  CYT H6      4.000    5.820 
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 560, r1= 3.50, r2= 4.00, r3= 5.82, r4= 6.32,  &end
#
#  18  CYT H5    17  THY M       4.820    6.450 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 4.32, r2= 4.82, r3= 7.75, r4= 8.25,
 igr2= 531, 532, 533,
 &end
#
#  19    Y H3x2  19    Y H3x1    1.650    1.880 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 577, r1= 1.15, r2= 1.65, r3= 1.88, r4= 2.38,  &end
#
#  20  CYT H6    19    Y H8      3.500    4.980 
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 591, r1= 3.00, r2= 3.50, r3= 4.98, r4= 5.48,  &end
#
#  21  THY H6    20  CYT H2'1    2.420    3.800 
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 638, r1= 1.92, r2= 2.42, r3= 3.80, r4= 4.30,  &end
#
#  21  THY H2'1  21  THY H6      1.820    2.050 
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 655, r1= 1.32, r2= 1.82, r3= 2.05, r4= 2.55,  &end
#
#  23  GUA H3'   23  GUA H8      3.290    5.050 
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 719, r1= 2.79, r2= 3.29, r3= 5.05, r4= 5.55,  &end
#
#  24  CYT H1'   24  CYT H6      3.460    4.770 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 752, r1= 2.96, r2= 3.46, r3= 4.77, r4= 5.27,  &end
#
#   4  ADE H8     3  THY H3'     3.980    5.930 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  89, r1= 3.48, r2= 3.98, r3= 5.93, r4= 6.43, 
      rk2=15.0, rk3=15.0, ir6=1, ialtd=0,
 &end
#
#   6  CYT H4'    6  CYT H2'2    2.660    3.020 
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 187, r1= 2.16, r2= 2.66, r3= 3.02, r4= 3.52,  &end
#
#   7    X H1'    7    X M       4.040    4.680 
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 3.54, r2= 4.04, r3= 5.62, r4= 6.12,
 igr2= 224, 225, 226,
 &end
#
#   7    X H2x2   7    X H2x1    1.650    1.840 
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 228, r1= 1.15, r2= 1.65, r3= 1.84, r4= 2.34,  &end
#
#   7    X H3'    8  ADE H8      3.890    5.530 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 244, r1= 3.39, r2= 3.89, r3= 5.53, r4= 6.03,  &end
#
#  11  CYT H3'   12  CYT H6      3.500    4.730 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 371, r1= 3.00, r2= 3.50, r3= 4.73, r4= 5.23,  &end
#
#  12  CYT H6    11  CYT H2'1    3.040    5.530 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 354, r1= 2.54, r2= 3.04, r3= 5.53, r4= 6.03,  &end
#
#  16  CYT H2'1  16  CYT H5      3.920    5.320 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 500, r1= 3.42, r2= 3.92, r3= 5.32, r4= 5.82,  &end
#
#  18  CYT H4'   18  CYT H2'1    3.730    5.910 
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 573, r1= 3.23, r2= 3.73, r3= 5.91, r4= 6.41,  &end
#
#  19    Y H8    18  CYT H6      3.790    5.260 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 560, r1= 3.29, r2= 3.79, r3= 5.26, r4= 5.76,  &end
#
#  20  CYT H1'    7    X M       5.190    7.110 
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 4.69, r2= 5.19, r3= 8.54, r4= 9.04,
 igr2= 224, 225, 226,
 &end
#
#  20  CYT H6    19    Y H3'     3.830    5.320 
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 601, r1= 3.33, r2= 3.83, r3= 5.32, r4= 5.82,  &end
#
#  20  CYT H2'1  20  CYT H5      4.220    6.600 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 627, r1= 3.72, r2= 4.22, r3= 6.60, r4= 7.10,  &end
#
#  21  THY H3'   22  ADE H8      3.540    5.010 
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 687, r1= 3.04, r2= 3.54, r3= 5.01, r4= 5.51,  &end
#
#  24  CYT H5    23  GUA H8      3.460    4.240 
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 719, r1= 2.96, r2= 3.46, r3= 4.24, r4= 4.74,  &end
#
#  24  CYT H6    23  GUA H3'     3.920    5.930 
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 733, r1= 3.42, r2= 3.92, r3= 5.93, r4= 6.43,  &end
#
#   2  CYT H3'    3  THY H6      3.470    4.830 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  76, r1= 2.97, r2= 3.47, r3= 4.83, r4= 5.33, 
      rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
 &end
#
#   3  THY H3'    3  THY H6      2.860    4.210 
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  76, r1= 2.36, r2= 2.86, r3= 4.21, r4= 4.71,  &end
#
#   6  CYT H2'1   6  CYT H5      4.300    5.680 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 175, r1= 3.80, r2= 4.30, r3= 5.68, r4= 6.18,  &end
#
#  20  CYT H1'    7    X H1x     3.540    5.070 M
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 222, r1= 3.04, r2= 3.54, r3= 5.77, r4= 5.97,  &end
#
#  20  CYT H4'    7    X M       4.910    6.690 
 &rst
  ixpk= 0, nxpk= 0, iat= 619,  -1, r1= 4.41, r2= 4.91, r3= 8.03, r4= 8.53,
 igr2= 224, 225, 226,
 &end
#
#  20  CYT H3'   20  CYT H6      2.940    4.280 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 625, r1= 2.44, r2= 2.94, r3= 4.28, r4= 4.78,  &end
#
#  21  THY H6    20  CYT H3'     3.070    4.380 
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 636, r1= 2.57, r2= 3.07, r3= 4.38, r4= 4.88,  &end

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1   7.176  -7.112  -3.165
    2   2H5*    G   1          2H5*        G   1   7.216  -8.123  -1.709
    3    H4*    G   1           H4*        G   1   7.688  -5.612  -1.401
    4    H3*    G   1           H3*        G   1   6.319  -7.417   0.326
    5    H1*    G   1           H1*        G   1   5.752  -3.857  -0.291
    6    H8     G   1           H8         G   1   2.377  -5.510  -1.300
    7    H1     G   1           H1         G   1   2.534   0.926  -1.197
    8   1H2     G   1          H22         G   1   4.618   1.579  -0.847
    9   2H2     G   1          H21         G   1   5.885   0.362  -0.621
   10    H5T    G   1           H5T        G   1   4.862  -6.894  -2.644
   11   1H2*    G   1          1H2*        G   1   4.180  -6.501  -0.245
   12   2H2*    G   1          2H2*        G   1   4.604  -5.479   1.176
   13   1H5*    C   2          1H5*        C   2  10.149  -2.806  -0.202
   14   2H5*    C   2          2H5*        C   2  10.431  -3.529   1.365
   15    H4*    C   2           H4*        C   2   9.674  -0.999   0.979
   16    H3*    C   2           H3*        C   2   9.812  -2.582   3.315
   17    H1*    C   2           H1*        C   2   7.378   0.049   2.329
   18   1H4     C   2          H42         C   2   1.140  -0.612   2.141
   19   2H4     C   2          H41         C   2   1.201  -2.378   2.054
   20    H5     C   2           H5         C   2   3.302  -3.567   1.995
   21    H6     C   2           H6         C   2   5.759  -3.292   2.027
   22   1H2*    C   2          1H2*        C   2   7.464  -2.796   3.448
   23   2H2*    C   2          2H2*        C   2   7.677  -1.254   4.341
   24   1H5*    T   3          1H5*        T   3   9.238   2.405   3.813
   25   2H5*    T   3          2H5*        T   3  10.281   2.687   5.214
   26    H4*    T   3           H4*        T   3   8.377   4.177   5.329
   27    H3*    T   3           H3*        T   3   9.109   2.605   7.516
   28   1H2*    T   3          1H2*        T   3   7.457   0.954   7.068
   29   2H2*    T   3          2H2*        T   3   6.600   1.991   8.257
   30    H1*    T   3           H1*        T   3   5.686   3.398   6.494
   31    H3     T   3           H3         T   3   1.771   1.587   5.480
   32   1H5M    T   3          1H5M        T   3   5.469  -2.428   5.881
   33   2H5M    T   3          2H5M        T   3   3.821  -2.653   6.515
   34   3H5M    T   3          3H5M        T   3   4.096  -2.655   4.774
   35    H6     T   3           H6         T   3   6.217  -0.245   5.872
   36   1H5*    A   4          1H5*        A   4   6.811   6.495   6.704
   37   2H5*    A   4          2H5*        A   4   7.528   7.988   7.337
   38    H4*    A   4           H4*        A   4   5.256   8.446   7.474
   39    H3*    A   4           H3*        A   4   6.450   8.005   9.998
   40    H1*    A   4           H1*        A   4   2.903   6.948   8.917
   41    H8     A   4           H8         A   4   5.329   3.877   9.032
   42   1H6     A   4          H61         A   4  -0.030   0.646   8.634
   43   2H6     A   4          H62         A   4   1.720   0.495   8.844
   44    H2     A   4           H2         A   4  -1.038   4.856   8.786
   45   1H2*    A   4          1H2*        A   4   5.387   5.971  10.376
   46   2H2*    A   4          2H2*        A   4   4.083   7.028  10.995
   47   1H5*    G   5          1H5*        G   5   2.166   9.422  10.095
   48   2H5*    G   5          2H5*        G   5   1.908  10.694  11.302
   49    H4*    G   5           H4*        G   5   0.110   9.126  11.482
   50    H3*    G   5           H3*        G   5   2.169   8.941  13.669
   51    H1*    G   5           H1*        G   5  -0.671   6.866  12.211
   52    H8     G   5           H8         G   5   2.845   5.219  12.527
   53    H1     G   5           H1         G   5  -2.083   1.138  11.749
   54   1H2     G   5          H22         G   5  -3.977   2.260  11.830
   55   2H2     G   5          H21         G   5  -3.922   4.020  11.945
   56   1H2*    G   5          1H2*        G   5   1.612   6.880  14.209
   57   2H2*    G   5          2H2*        G   5  -0.093   7.343  14.441
   58   1H5*    C   6          1H5*        C   6  -3.876   9.152  13.333
   59   2H5*    C   6          2H5*        C   6  -3.528   9.547  15.009
   60    H4*    C   6           H4*        C   6  -4.766   7.256  14.142
   61    H3*    C   6           H3*        C   6  -3.465   8.095  16.689
   62    H1*    C   6           H1*        C   6  -4.235   4.766  14.828
   63   1H4     C   6          H42         C   6   0.510   0.771  14.928
   64   2H4     C   6          H41         C   6   1.664   2.085  15.047
   65    H5     C   6           H5         C   6   1.058   4.263  15.841
   66    H6     C   6           H6         C   6  -0.848   5.820  15.874
   67   1H2*    C   6          1H2*        C   6  -3.000   5.960  17.299
   68   2H2*    C   6          2H2*        C   6  -4.671   5.447  16.964
   69   1H5*  2EG   7          1H5*      2EG   7  -7.230   5.750  16.769
   70   2H5*  2EG   7          2H5*      2EG   7  -8.342   6.308  18.034
   71    H4*  2EG   7           H4*      2EG   7  -8.259   3.902  18.044
   72    H3*  2EG   7           H3*      2EG   7  -7.749   5.396  20.381
   73   1H2*  2EG   7          1H2*      2EG   7  -5.432   4.883  20.366
   74   2H2*  2EG   7          2H2*      2EG   7  -6.031   3.506  21.342
   75    H1*  2EG   7           H1*      2EG   7  -6.235   2.123  19.371
   76    H8   2EG   7           H8       2EG   7  -3.268   4.639  19.578
   77    H1   2EG   7           H1       2EG   7  -1.801  -1.397  17.853
   78   1H2   2EG   7          1H2       2EG   7  -3.678  -2.574  17.589
   79   1H21  2EG   7          1H21      2EG   7  -6.273  -1.118  17.946
   80   1H22  2EG   7          1H22      2EG   7  -5.844  -3.146  19.346
   81   2H22  2EG   7          2H22      2EG   7  -5.742  -4.105  17.860
   82   3H22  2EG   7          3H22      2EG   7  -7.259  -3.274  18.294
   83   1H5*    A   8          1H5*        A   8  -9.186   1.117  19.795
   84   2H5*    A   8          2H5*        A   8 -10.502   0.812  20.934
   85    H4*    A   8           H4*        A   8  -9.564  -1.276  20.171
   86    H3*    A   8           H3*        A   8  -9.921  -0.708  22.845
   87    H1*    A   8           H1*        A   8  -6.697  -2.434  21.510
   88    H8     A   8           H8         A   8  -6.244   1.377  22.307
   89   1H6     A   8          H61         A   8  -0.218  -0.043  21.252
   90   2H6     A   8          H62         A   8  -1.300   1.298  21.682
   91    H2     A   8           H2         A   8  -2.484  -3.650  20.839
   92   1H2*    A   8          1H2*        A   8  -7.692  -0.272  23.379
   93   2H2*    A   8          2H2*        A   8  -7.662  -2.047  23.610
   94   1H5*    G   9          1H5*        G   9  -8.282  -4.973  22.033
   95   2H5*    G   9          2H5*        G   9  -9.168  -6.167  23.013
   96    H4*    G   9           H4*        G   9  -6.860  -6.729  23.203
   97    H3*    G   9           H3*        G   9  -8.201  -5.747  25.593
   98    H1*    G   9           H1*        G   9  -4.553  -5.680  24.434
   99    H8     G   9           H8         G   9  -5.945  -2.070  25.011
  100    H1     G   9           H1         G   9   0.428  -2.554  24.227
  101   1H2     G   9          H22         G   9   0.944  -4.683  23.811
  102   2H2     G   9          H21         G   9  -0.366  -5.861  23.660
  103   1H2*    G   9          1H2*        G   9  -6.666  -4.090  25.948
  104   2H2*    G   9          2H2*        G   9  -5.629  -5.398  26.568
  105   1H5*    T  10          1H5*        T  10  -4.693  -8.421  25.037
  106   2H5*    T  10          2H5*        T  10  -4.800  -9.825  26.107
  107    H4*    T  10           H4*        T  10  -2.484  -9.380  25.522
  108    H3*    T  10           H3*        T  10  -3.450  -9.644  28.176
  109   1H2*    T  10          1H2*        T  10  -2.950  -7.474  28.816
  110   2H2*    T  10          2H2*        T  10  -1.308  -8.155  29.049
  111    H1*    T  10           H1*        T  10  -0.583  -7.455  26.909
  112    H3     T  10           H3         T  10   0.455  -3.111  27.627
  113   1H5M    T  10          1H5M        T  10  -4.963  -3.678  28.197
  114   2H5M    T  10          2H5M        T  10  -4.095  -2.546  29.261
  115   3H5M    T  10          3H5M        T  10  -4.295  -2.159  27.558
  116    H6     T  10           H6         T  10  -3.707  -5.578  27.710
  117   1H5*    C  11          1H5*        C  11   1.583 -11.302  30.337
  118   2H5*    C  11          2H5*        C  11   0.351 -10.174  30.933
  119    H4*    C  11           H4*        C  11   2.867  -9.414  29.390
  120    H3*    C  11           H3*        C  11   2.484  -9.985  32.140
  121    H1*    C  11           H1*        C  11   2.829  -6.625  30.511
  122   1H4     C  11          H42         C  11  -1.345  -1.992  31.041
  123   2H4     C  11          H41         C  11  -2.738  -3.070  31.009
  124    H5     C  11           H5         C  11  -2.475  -5.489  31.138
  125    H6     C  11           H6         C  11  -0.813  -7.298  31.027
  126   1H2*    C  11          1H2*        C  11   1.038  -8.148  32.467
  127   2H2*    C  11          2H2*        C  11   2.602  -7.367  32.836
  128   1H5*    C  12          1H5*        C  12   6.184  -6.942  31.246
  129   2H5*    C  12          2H5*        C  12   7.440  -7.511  32.352
  130    H4*    C  12           H4*        C  12   7.573  -5.159  32.483
  131    H3*    C  12           H3*        C  12   5.815  -6.100  34.782
  132    H1*    C  12           H1*        C  12   5.761  -2.752  32.872
  133   1H4     C  12          H42         C  12  -0.084  -1.737  34.340
  134   2H4     C  12          H41         C  12  -0.606  -3.405  34.074
  135    H5     C  12           H5         C  12   1.099  -5.235  34.014
  136    H6     C  12           H6         C  12   3.508  -5.590  33.563
  137    H3T    C  12           H3T        C  12   7.955  -6.738  34.981
  138   1H2*    C  12          1H2*        C  12   5.699  -3.855  35.493
  139   2H2*    C  12          2H2*        C  12   7.148  -3.391  34.559
  140   1H5*    G  13          1H5*        G  13  -0.358   9.743  32.913
  141   2H5*    G  13          2H5*        G  13  -1.154   8.170  33.123
  142    H4*    G  13           H4*        G  13   1.495   8.895  34.447
  143    H3*    G  13           H3*        G  13   1.158   8.551  31.695
  144    H1*    G  13           H1*        G  13   2.349   5.862  34.064
  145    H8     G  13           H8         G  13  -1.451   5.284  34.177
  146    H1     G  13           H1         G  13   2.136  -0.065  34.018
  147   1H2     G  13          H22         G  13   4.192   0.514  33.397
  148   2H2     G  13          H21         G  13   4.528   2.214  33.010
  149    H5T    G  13           H5T        G  13  -1.966   9.685  34.630
  150   1H2*    G  13          1H2*        G  13   0.342   6.330  31.835
  151   2H2*    G  13          2H2*        G  13   2.107   5.998  31.710
  152   1H5*    G  14          1H5*        G  14   5.296   6.256  32.333
  153   2H5*    G  14          2H5*        G  14   6.298   7.004  31.085
  154    H4*    G  14           H4*        G  14   6.602   4.695  30.787
  155    H3*    G  14           H3*        G  14   5.488   6.107  28.647
  156    H1*    G  14           H1*        G  14   4.739   2.652  29.592
  157    H8     G  14           H8         G  14   1.388   4.478  30.207
  158    H1     G  14           H1         G  14   1.290  -1.924  30.931
  159   1H2     G  14          H22         G  14   3.343  -2.707  30.555
  160   2H2     G  14          H21         G  14   4.650  -1.574  30.210
  161   1H2*    G  14          1H2*        G  14   3.271   5.308  29.179
  162   2H2*    G  14          2H2*        G  14   3.808   4.153  27.905
  163   1H5*    A  15          1H5*        A  15   8.354   2.011  29.087
  164   2H5*    A  15          2H5*        A  15   9.860   2.488  28.288
  165    H4*    A  15           H4*        A  15   9.764   0.226  27.775
  166    H3*    A  15           H3*        A  15   9.154   1.952  25.625
  167    H1*    A  15           H1*        A  15   6.990  -1.290  26.377
  168    H8     A  15           H8         A  15   5.540   2.324  26.785
  169   1H6     A  15          H61         A  15   0.152  -0.760  27.689
  170   2H6     A  15          H62         A  15   0.838   0.840  27.425
  171    H2     A  15           H2         A  15   3.322  -3.690  27.520
  172   1H2*    A  15          1H2*        A  15   7.032   1.488  25.235
  173   2H2*    A  15          2H2*        A  15   7.596  -0.035  24.519
  174   1H5*    C  16          1H5*        C  16   8.736  -3.549  26.285
  175   2H5*    C  16          2H5*        C  16   9.730  -4.065  24.916
  176    H4*    C  16           H4*        C  16   7.534  -5.139  24.910
  177    H3*    C  16           H3*        C  16   8.548  -3.625  22.622
  178    H1*    C  16           H1*        C  16   5.022  -4.628  23.896
  179   1H4     C  16          H42         C  16   0.755   0.017  24.232
  180   2H4     C  16          H41         C  16   1.988   1.284  24.135
  181    H5     C  16           H5         C  16   4.309   0.787  23.805
  182    H6     C  16           H6         C  16   5.946  -1.049  23.709
  183   1H2*    C  16          1H2*        C  16   6.544  -2.623  22.170
  184   2H2*    C  16          2H2*        C  16   5.916  -4.229  21.758
  185   1H5*    T  17          1H5*        T  17   5.879  -7.306  22.560
  186   2H5*    T  17          2H5*        T  17   6.352  -8.428  21.271
  187    H4*    T  17           H4*        T  17   3.939  -8.496  21.595
  188    H3*    T  17           H3*        T  17   5.146  -7.964  19.061
  189   1H2*    T  17          1H2*        T  17   4.272  -5.833  18.871
  190   2H2*    T  17          2H2*        T  17   2.820  -6.707  18.316
  191    H1*    T  17           H1*        T  17   1.846  -6.725  20.504
  192    H3     T  17           H3         T  17  -0.102  -2.645  20.913
  193   1H5M    T  17          1H5M        T  17   5.187  -1.905  19.815
  194   2H5M    T  17          2H5M        T  17   3.959  -0.712  19.323
  195   3H5M    T  17          3H5M        T  17   4.443  -0.819  21.017
  196    H6     T  17           H6         T  17   4.445  -4.065  20.136
  197   1H5*    C  18          1H5*        C  18   0.710  -9.232  19.423
  198   2H5*    C  18          2H5*        C  18   0.300 -10.426  18.188
  199    H4*    C  18           H4*        C  18  -1.580  -8.930  18.682
  200    H3*    C  18           H3*        C  18  -0.721  -9.515  16.062
  201    H1*    C  18           H1*        C  18  -2.218  -6.303  17.394
  202   1H4     C  18          H42         C  18   0.858  -0.862  17.750
  203   2H4     C  18          H41         C  18   2.415  -1.565  17.282
  204    H5     C  18           H5         C  18   2.671  -3.923  16.890
  205    H6     C  18           H6         C  18   1.448  -6.049  16.772
  206   1H2*    C  18          1H2*        C  18   0.065  -7.336  15.632
  207   2H2*    C  18          2H2*        C  18  -1.663  -7.109  15.199
  208   1H5*  2EG  19          1H5*      2EG  19  -4.934  -9.528  12.999
  209   2H5*  2EG  19          2H5*      2EG  19  -3.291  -8.971  13.337
  210    H4*  2EG  19           H4*      2EG  19  -5.827  -7.297  13.564
  211   1H2*  2EG  19          2H2*      2EG  19  -2.336  -7.047  12.168
  212   2H2*  2EG  19          1H2*      2EG  19  -2.980  -5.762  11.083
  213    H1*  2EG  19           H1*      2EG  19  -4.299  -4.831  12.969
  214    H8   2EG  19           H8       2EG  19  -0.608  -5.945  13.268
  215    H1   2EG  19           H1       2EG  19  -1.957   0.148  14.912
  216   1H2   2EG  19          1H2       2EG  19  -4.088   0.393  15.196
  217   1H21  2EG  19          1H21      2EG  19  -6.288  -0.051  15.494
  218   1H22  2EG  19          1H22      2EG  19  -5.597  -3.028  15.679
  219   2H22  2EG  19          2H22      2EG  19  -7.143  -2.288  15.999
  220   2H21  2EG  19          2H21      2EG  19  -6.147  -1.157  14.127
  221    H9   2EG  19           H9       2EG  19  -4.357  -8.024  11.269
  222   1H5*    C  20          1H5*        C  20  -7.668  -4.994  12.279
  223   2H5*    C  20          2H5*        C  20  -9.114  -5.207  11.295
  224    H4*    C  20           H4*        C  20  -9.085  -2.910  11.692
  225    H3*    C  20           H3*        C  20  -8.204  -3.628   9.024
  226    H1*    C  20           H1*        C  20  -6.960  -0.649  11.232
  227   1H4     C  20          H42         C  20  -0.623  -0.744  11.299
  228   2H4     C  20          H41         C  20  -0.567  -2.460  10.920
  229    H5     C  20           H5         C  20  -2.511  -3.732  10.446
  230    H6     C  20           H6         C  20  -4.976  -3.722  10.519
  231   1H2*    C  20          1H2*        C  20  -6.329  -2.509   8.933
  232   2H2*    C  20          2H2*        C  20  -7.296  -1.007   8.939
  233   1H5*    T  21          1H5*        T  21  -8.896   1.329  11.116
  234   2H5*    T  21          2H5*        T  21 -10.194   2.026  10.068
  235    H4*    T  21           H4*        T  21  -8.169   3.390  10.048
  236    H3*    T  21           H3*        T  21  -9.365   2.349   7.617
  237   1H2*    T  21          1H2*        T  21  -7.354   1.500   6.842
  238   2H2*    T  21          2H2*        T  21  -6.962   3.203   6.466
  239    H1*    T  21           H1*        T  21  -5.930   3.550   8.608
  240    H3     T  21           H3         T  21  -1.710   2.047   8.481
  241   1H5M    T  21          1H5M        T  21  -4.972  -2.034   6.856
  242   2H5M    T  21          2H5M        T  21  -3.308  -1.896   6.245
  243   3H5M    T  21          3H5M        T  21  -3.592  -2.443   7.900
  244    H6     T  21           H6         T  21  -5.947  -0.032   7.490
  245   1H5*    A  22          1H5*        A  22  -6.992   6.231   7.794
  246   2H5*    A  22          2H5*        A  22  -7.631   7.478   6.708
  247    H4*    A  22           H4*        A  22  -5.222   7.501   6.645
  248    H3*    A  22           H3*        A  22  -6.760   7.034   4.238
  249    H1*    A  22           H1*        A  22  -3.255   6.055   5.314
  250    H8     A  22           H8         A  22  -5.408   2.838   4.718
  251   1H6     A  22          H61         A  22   0.182   0.033   5.071
  252   2H6     A  22          H62         A  22  -1.538  -0.250   4.802
  253    H2     A  22           H2         A  22   0.788   4.274   5.710
  254   1H2*    A  22          1H2*        A  22  -5.699   5.018   3.793
  255   2H2*    A  22          2H2*        A  22  -4.390   6.073   3.175
  256   1H5*    G  23          1H5*        G  23  -2.601   9.065   4.662
  257   2H5*    G  23          2H5*        G  23  -2.513  10.425   3.537
  258    H4*    G  23           H4*        G  23  -0.286   9.533   3.922
  259    H3*    G  23           H3*        G  23  -1.303   9.950   1.355
  260    H1*    G  23           H1*        G  23   0.937   7.177   2.439
  261    H8     G  23           H8         G  23  -2.549   5.456   2.038
  262    H1     G  23           H1         G  23   2.580   1.538   2.216
  263   1H2     G  23          H22         G  23   4.397   2.751   2.558
  264   2H2     G  23          H21         G  23   4.210   4.462   2.912
  265   1H2*    G  23          1H2*        G  23  -1.757   7.598   1.042
  266   2H2*    G  23          2H2*        G  23  -0.120   7.775   0.320
  267   1H5*    C  24          1H5*        C  24   2.516  10.013  -1.926
  268   2H5*    C  24          2H5*        C  24   1.331   8.979  -1.108
  269    H4*    C  24           H4*        C  24   4.295   8.530  -0.657
  270    H3*    C  24           H3*        C  24   2.544   7.549  -2.950
  271    H1*    C  24           H1*        C  24   4.068   5.473  -0.091
  272   1H4     C  24          H42         C  24  -0.138   1.091  -1.289
  273   2H4     C  24          H41         C  24  -1.449   2.234  -1.014
  274    H5     C  24           H5         C  24  -1.089   4.629  -1.135
  275    H6     C  24           H6         C  24   0.669   6.322  -0.917
  276    H3T    C  24           H3T        C  24   4.186   9.259  -3.275
  277   1H2*    C  24          1H2*        C  24   3.782   5.519  -2.916
  278   2H2*    C  24          2H2*        C  24   5.112   6.251  -1.975