*HEADER    DNA                                     17-MAR-14   2MMS              
*TITLE     AG(7-DEAZA)G FAPY MODIFIED DUPLEX                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*CP*TP*AP*AP*(FAG)P*(7GU)P*TP*TP*CP*A)-3');      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: DNA_(5'-D(*TP*GP*AP*AP*CP*CP*TP*TP*AP*G)-3');              
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    AFLATOXIN B1, FAPY, FORMAMIDOPYRIMIDINE, INTERCALATION, DNA ADDUCT,   
*KEYWDS   2 DEOXYRIBONUCLEIC ACID, HYDROGEN BOND, SEQUENCE DEPENDENCE, AG(7-     
*KEYWDS   3 DEAZA)G, DNA                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    L.LI, M.STONE                                                         
*REVDAT   1   25-FEB-15 2MMS    0                                                


#
#   1 DC5   H2'1  1 DC5 H3'     1.660   2.380
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  24, r1= 1.16, r2= 1.66, r3= 2.38, r4= 2.88, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
#   1 DC5   H2'2  1 DC5 H3'     2.090   2.850
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  24, r1= 1.59, r2= 2.09, r3= 2.85, r4= 3.35,  &end
#
#   1 DC5   H1'   1 DC5 H3'     2.990   3.870
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  24, r1= 2.49, r2= 2.99, r3= 3.87, r4= 4.37,  &end
#
#   1 DC5   H1'   1 DC5 H2'1    2.440   3.030
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  26, r1= 1.94, r2= 2.44, r3= 3.03, r4= 3.53,  &end
#
#   1 DC5   H5    1 DC5 H3'     6.190   6.590
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  24, r1= 5.69, r2= 6.19, r3= 6.59, r4= 7.09,  &end
#
#   1 DC5   H5    1 DC5 H2'1    4.060   4.500
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  26, r1= 3.56, r2= 4.06, r3= 4.50, r4= 5.00,  &end
#
#   1 DC5   H5    1 DC5 H2'2    5.260   5.700
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  27, r1= 4.76, r2= 5.26, r3= 5.70, r4= 6.20,  &end
#
#   1 DC5   H6    1 DC5 H3'     3.440   4.280
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  24, r1= 2.94, r2= 3.44, r3= 4.28, r4= 4.78,  &end
#
#   1 DC5   H6    1 DC5 H2'1    1.670   2.340
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  26, r1= 1.17, r2= 1.67, r3= 2.34, r4= 2.84,  &end
#
#   1 DC5   H6    1 DC5 H2'2    3.160   3.820
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  27, r1= 2.66, r2= 3.16, r3= 3.82, r4= 4.32,  &end
#
#   1 DC5   H6    1 DC5 H1'     3.160   3.790 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 2.66, r2= 3.16, r3= 3.79, r4= 4.29,  &end
#
#   2 DT    Q5    1 DC5 H3'     2.840   3.580
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  24, r1= 2.34, r2= 2.84, r3= 4.30, r4= 4.80,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    Q5    1 DC5 H2'1    2.000   3.010
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  26, r1= 1.50, r2= 2.00, r3= 3.61, r4= 4.11,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    Q5    1 DC5 H2'2    2.010   3.090
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 1.51, r2= 2.01, r3= 3.71, r4= 4.21,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    Q5    1 DC5 H1'     2.960   4.530
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  10, r1= 2.46, r2= 2.96, r3= 5.44, r4= 5.94,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    Q5    1 DC5 H5      1.570   2.930
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  15, r1= 1.07, r2= 1.57, r3= 3.52, r4= 4.02,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    Q5    1 DC5 H6      2.010   2.560
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.51, r2= 2.01, r3= 3.07, r4= 3.57,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    H6    1 DC5 H1'     3.980   4.180
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  10, r1= 3.48, r2= 3.98, r3= 4.18, r4= 4.68,  &end
#
#   2 DT    H6    1 DC5 H2'2    2.500   2.710
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  27, r1= 2.00, r2= 2.50, r3= 2.71, r4= 3.21,  &end
#
#   2 DT    H6    1 DC5 H2'1    3.810   4.290  
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  26, r1= 3.31, r2= 3.81, r3= 4.29, r4= 4.79,  &end
#
#   2 DT    H6    1 DC5 H3'     4.980   5.280
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  24, r1= 4.48, r2= 4.98, r3= 5.28, r4= 5.78,  &end
#
#   2 DT    H6    1 DC5 H6      5.000   5.320
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  13, r1= 4.50, r2= 5.00, r3= 5.32, r4= 5.82,  &end
#
#   2 DT    Q5    2 DT  H3'     3.250   6.510
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  56, r1= 2.75, r2= 3.25, r3= 7.82, r4= 8.32,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    Q5    2 DT  H1'     3.800   5.670
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  40, r1= 3.30, r2= 3.80, r3= 6.81, r4= 7.31,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    H2'2  2 DT  H3'     2.290   2.950
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  56, r1= 1.79, r2= 2.29, r3= 2.95, r4= 3.45,  &end
#
#   2 DT    H1'   2 DT  H3'     3.590   4.010
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  56, r1= 3.09, r2= 3.59, r3= 4.01, r4= 4.51,  &end
#
#   2 DT    H1'   2 DT  H2'1    2.510   3.080
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  58, r1= 2.01, r2= 2.51, r3= 3.08, r4= 3.58,  &end
#
#   2 DT    H1'   2 DT  H2'2    1.870   2.490
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  59, r1= 1.37, r2= 1.87, r3= 2.49, r4= 2.99,  &end
#
#   2 DT    H6    2 DT  H1'     3.540   3.960
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  40, r1= 3.04, r2= 3.54, r3= 3.96, r4= 4.46,  &end
#
#   3 DA    H61   2 DT  H3      3.570   3.720
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  52, r1= 3.07, r2= 3.57, r3= 3.72, r4= 4.22,  &end
#
#   3 DA    H62   2 DT  H3      4.270   4.520  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  52, r1= 3.77, r2= 4.27, r3= 4.52, r4= 5.02,  &end
#
#   3 DA    H2    2 DT  H3      3.770   4.220
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  52, r1= 3.27, r2= 3.77, r3= 4.22, r4= 4.72,  &end
#
#   3 DA    H61  18 DT  H3      2.370   2.620
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 600, r1= 1.87, r2= 2.37, r3= 2.62, r4= 3.12,  &end
#
#   3 DA    H62  18 DT  H3      3.770   4.120
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 600, r1= 3.27, r2= 3.77, r3= 4.12, r4= 4.62,  &end
#
#   3 DA    H2   19 DA  H2      2.570   3.020
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 632, r1= 2.07, r2= 2.57, r3= 3.02, r4= 3.52,  &end
#
#   3 DA    H8    2 DT  H3'     4.970   5.220
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  56, r1= 4.47, r2= 4.97, r3= 5.22, r4= 5.72,  &end
#
#   3 DA    H8    2 DT  H2'1    4.400   4.660
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  58, r1= 3.90, r2= 4.40, r3= 4.66, r4= 5.16,  &end
#
#   3 DA    H8    2 DT  H2'2    2.650   3.060
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  59, r1= 2.15, r2= 2.65, r3= 3.06, r4= 3.56,  &end
#
#   3 DA    H8    2 DT  H1'     3.640   3.950
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  40, r1= 3.14, r2= 3.64, r3= 3.95, r4= 4.45,  &end
#
#   3 DA    H1'   3 DA  H2'2    2.260   2.960
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  91, r1= 1.76, r2= 2.26, r3= 2.96, r4= 3.46,  &end
#
#   3 DA    H1'   3 DA  H2'1    3.070   3.850
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  90, r1= 2.57, r2= 3.07, r3= 3.85, r4= 4.35,  &end
#
#   3 DA    H8    3 DA  H1'     3.710   4.120
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  72, r1= 3.21, r2= 3.71, r3= 4.12, r4= 4.62,  &end
#
#   3 DA    H8    3 DA  H2'2    3.310   4.320
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  91, r1= 2.81, r2= 3.31, r3= 4.32, r4= 4.82,  &end
#
#   4 DA    H2    3 DA  H2      4.470   4.820  
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  84, r1= 3.97, r2= 4.47, r3= 4.82, r4= 5.32,  &end
#
#   4 DA    H2   18 DT  H3      4.270   4.420
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 600, r1= 3.77, r2= 4.27, r3= 4.42, r4= 4.92,  &end
#
#   4 DA    H61  18 DT  H3      4.870   5.120
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 600, r1= 4.37, r2= 4.87, r3= 5.12, r4= 5.62,  &end
#
#   4 DA    H62  18 DT  H3      5.770   6.120
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 600, r1= 5.27, r2= 5.77, r3= 6.12, r4= 6.62,  &end
#
#   4 DA    H2   17 DT  H3      2.370   2.620
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 568, r1= 1.87, r2= 2.37, r3= 2.62, r4= 3.12,  &end
#
#   4 DA    H61  17 DT  H3      2.770   3.020
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 568, r1= 2.27, r2= 2.77, r3= 3.02, r4= 3.52,  &end
#
#   4 DA    H62  17 DT  H3      4.170   4.620
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 568, r1= 3.67, r2= 4.17, r3= 4.62, r4= 5.12,  &end
#
#   4 DA    H1'   3 DA  H1'     5.410   5.610
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  72, r1= 4.91, r2= 5.41, r3= 5.61, r4= 6.11,  &end
#
#   4 DA    H8    3 DA  H2'1    3.820   4.010
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  90, r1= 3.32, r2= 3.82, r3= 4.01, r4= 4.51,  &end
#
#   4 DA    H8    3 DA  H2'2    2.420   2.610
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  91, r1= 1.92, r2= 2.42, r3= 2.61, r4= 3.11,  &end
#
#   4 DA    H8    3 DA  H1'     3.860   4.060
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  72, r1= 3.36, r2= 3.86, r3= 4.06, r4= 4.56,  &end
#
#   4 DA    H8    3 DA  H8      4.670   4.980
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  75, r1= 4.17, r2= 4.67, r3= 4.98, r4= 5.48,  &end
#
#   4 DA    H1'   4 DA  H3'     3.580   4.240
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 120, r1= 3.08, r2= 3.58, r3= 4.24, r4= 4.74,  &end
#
#   4 DA    H1'   4 DA  H2'1    2.700   3.090
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 122, r1= 2.20, r2= 2.70, r3= 3.09, r4= 3.59,  &end
#
#   4 DA    H1'   4 DA  H2'2    2.040   2.500
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 123, r1= 1.54, r2= 2.04, r3= 2.50, r4= 3.00,  &end
#
#   4 DA    H8    4 DA  H2'1    1.800   2.290
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79,  &end
#
#   4 DA    H8    4 DA  H2'2    3.340   3.500    
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 123, r1= 2.84, r2= 3.34, r3= 3.50, r4= 4.00,  &end
#
#   4 DA    H8    4 DA  H1'     3.160   3.740
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 104, r1= 2.66, r2= 3.16, r3= 3.74, r4= 4.24,  &end
#
#   5 FAG   H9A   4 DA  H8      3.150   3.670
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 107, r1= 2.65, r2= 3.15, r3= 3.67, r4= 4.17,  &end
#
#   5 FAG   H6A   4 DA  H3'     4.070   4.620
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 120, r1= 3.57, r2= 4.07, r3= 4.62, r4= 5.12,  &end
#
#   5 FAG   H6A   4 DA  H2'1    2.370   3.840
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 122, r1= 1.87, r2= 2.37, r3= 3.84, r4= 4.34,  &end
#
#   5 FAG   H6A   4 DA  H2'2    1.870   2.240
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 123, r1= 1.37, r2= 1.87, r3= 2.24, r4= 2.74,  &end
#
#   5 FAG   H6A   4 DA  H1'     2.340   3.160
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 104, r1= 1.84, r2= 2.34, r3= 3.16, r4= 3.66,  &end
#
#   5 FAG   H6A   4 DA  H8      2.310   2.890
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 107, r1= 1.81, r2= 2.31, r3= 2.89, r4= 3.39,  &end
#
#   5 FAG   H5    4 DA  H2'1    5.450   5.860
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 122, r1= 4.95, r2= 5.45, r3= 5.86, r4= 6.36,  &end
#
#   5 FAG   H5    4 DA  H2'2    4.420   4.830
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 123, r1= 3.92, r2= 4.42, r3= 4.83, r4= 5.33,  &end
#
#   5 FAG   H5    4 DA  H1'     3.070   3.480
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 104, r1= 2.57, r2= 3.07, r3= 3.48, r4= 3.98,  &end
#
#   5 FAG   H5    4 DA  H8      5.070   6.200
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 107, r1= 4.57, r2= 5.07, r3= 6.20, r4= 6.70,  &end
#
#   5 FAG   MA   17 DT  H3      2.500   5.500
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr1= 181, 182, 183,
 &end
#
#   5 FAG   MA 4 DA  H2      2.000   3.000  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 116, r1= 1.50, r2= 2.00, r3= 3.60, r4= 4.10,
 igr1= 181, 182, 183,
 &end
#
#   5 FAG   H2A   5 FAG H3A     2.190   2.610
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 174, r1= 1.69, r2= 2.19, r3= 2.61, r4= 3.11,  &end
#
#   5 FAG   H2B   5 FAG H3A     2.970   3.440
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 174, r1= 2.47, r2= 2.97, r3= 3.44, r4= 3.94,  &end
#
#   5 FAG   H2'1  5 FAG H1'     2.690   3.230
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 136, r1= 2.19, r2= 2.69, r3= 3.23, r4= 3.73,  &end
#
#   5 FAG   H2'2  5 FAG H1'     2.080   2.600
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 136, r1= 1.58, r2= 2.08, r3= 2.60, r4= 3.10,  &end
#
#   5 FAG   H3'   5 FAG H1'     3.630   4.150
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 136, r1= 3.13, r2= 3.63, r3= 4.15, r4= 4.65,  &end
#
#   5 FAG   H3'   5 FAG H2'1    2.430   3.070
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 194, r1= 1.93, r2= 2.43, r3= 3.07, r4= 3.57,  &end
#
#   5 FAG   H8    5 FAG H1'     5.230   5.990
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 136, r1= 4.73, r2= 5.23, r3= 5.99, r4= 6.49,  &end
#
#   5 FAG   H8    5 FAG H8A     3.440   4.200
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 155, r1= 2.94, r2= 3.44, r3= 4.20, r4= 4.70,  &end
#
#   5 FAG   H9    5 FAG H8A     2.420   2.950
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 155, r1= 1.92, r2= 2.42, r3= 2.95, r4= 3.45,  &end
#
#   5 FAG   H9    5 FAG H8      2.540   3.690
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 152, r1= 2.04, r2= 2.54, r3= 3.69, r4= 4.19,  &end
#
#   5 FAG   H9A   5 FAG H9      2.490   2.960
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 159, r1= 1.99, r2= 2.49, r3= 2.96, r4= 3.46,  &end
#
#   5 FAG   H6A   5 FAG H9A     1.600   2.420
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 161, r1= 1.10, r2= 1.60, r3= 2.42, r4= 2.92,  &end
#
#   5 FAG   H5    5 FAG H3A     4.710   5.360
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 174, r1= 4.21, r2= 4.71, r3= 5.36, r4= 5.86,  &end
#
#   5 FAG   H5    5 FAG H3B     4.710   5.260
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 175, r1= 4.21, r2= 4.71, r3= 5.26, r4= 5.76,  &end
#
#   5 FAG   H5    5 FAG H1'     5.030   5.500
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 136, r1= 4.53, r2= 5.03, r3= 5.50, r4= 6.00,  &end
#
#   5 FAG   H5    5 FAG H6A     4.100   4.590
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 189, r1= 3.60, r2= 4.10, r3= 4.59, r4= 5.09,  &end
#
#   6 7dG  H1' 5 FAG H1'    3.310   4.810    
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 136, r1= 2.81, r2= 3.31, r3= 4.81, r4= 5.31,  &end
#
#   6 7dG  H8 5 FAG H1'    2.440   3.510    
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 136, r1= 1.94, r2= 2.44, r3= 3.51, r4= 4.01,  &end
#
#   6 7dG  H8 5 FAG H2'1   3.160   5.190    
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 194, r1= 2.66, r2= 3.16, r3= 5.19, r4= 5.69,  &end
#
#   6 7dG  H8 5 FAG H2'2   3.570   5.080    
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 195, r1= 3.07, r2= 3.57, r3= 5.08, r4= 5.58,  &end
#
#   6 7dG  H8 5 FAG H3'    3.850   5.670    
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 192, r1= 3.35, r2= 3.85, r3= 5.67, r4= 6.17,  &end
#
#   6 7dG  H8 6 7dG H2'1   2.020   3.720    
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 228, r1= 1.52, r2= 2.02, r3= 3.72, r4= 4.22,  &end
#
#   6 7dG  H8 6 7dG H1'    3.140   4.610    
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 208, r1= 2.64, r2= 3.14, r3= 4.61, r4= 5.11,  &end
#
#   6 7dG  H7 6 7dG H2'1   2.720   4.890    
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 228, r1= 2.22, r2= 2.72, r3= 4.89, r4= 5.39,  &end
#
#   6 7dG  H7 6 7dG H8     2.570   5.350    
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 211, r1= 2.07, r2= 2.57, r3= 5.35, r4= 5.85,  &end
#
#   6 7dG  H2'2 6 7dG H8     2.700   4.130        
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 211, r1= 2.20, r2= 2.70, r3= 4.13, r4= 4.63,  &end
#
#   7 DT   Q5 6 7dG   H2'1   2.970   3.920    
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 228, r1= 2.47, r2= 2.97, r3= 4.71, r4= 5.21,
 igr1= 248, 249, 250,
 &end
#
#   7 DT   Q5 6 7dG   H1'    3.050   4.150    
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 2.55, r2= 3.05, r3= 4.98, r4= 5.48,
 igr1= 248, 249, 250,
 &end
#
#   7 DT   Q5 6 7dG   H8     3.010   3.800    
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 2.51, r2= 3.01, r3= 4.56, r4= 5.06,
 igr1= 248, 249, 250,
 &end
#
#   7 DT   Q5 6 7dG   H7     3.290   4.570    
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 2.79, r2= 3.29, r3= 5.49, r4= 5.99,
 igr1= 248, 249, 250,
 &end
#
#   7 DT   Q5 6 7dG   H2'2   2.900   4.200    
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 2.40, r2= 2.90, r3= 5.04, r4= 5.54,
 igr1= 248, 249, 250,
 &end
#
#   7 DT   H6 6 7dG   H8     3.390   5.550    
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 211, r1= 2.89, r2= 3.39, r3= 5.55, r4= 6.05,  &end
#
#   7 DT   H6 6 7dG   H7     3.560   6.090    
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 213, r1= 3.06, r2= 3.56, r3= 6.09, r4= 6.59,  &end
#
#   7 DT   H6 6 7dG   H2'2   1.660   2.230   
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 229, r1= 1.16, r2= 1.66, r3= 2.23, r4= 2.73,  &end
#
#   7 DT    H2'1  7 DT  H3'     2.200   2.820
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 258, r1= 1.70, r2= 2.20, r3= 2.82, r4= 3.32,  &end
#
#   7 DT    H2'2  7 DT  H3'     2.470   3.090
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 258, r1= 1.97, r2= 2.47, r3= 3.09, r4= 3.59,  &end
#
#   7 DT    H1'   7 DT  H2'1    2.780   3.220
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 260, r1= 2.28, r2= 2.78, r3= 3.22, r4= 3.72,  &end
#
#   7 DT    H1'   7 DT  H2'2    2.020   2.520
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 261, r1= 1.52, r2= 2.02, r3= 2.52, r4= 3.02,  &end
#
#   7 DT    H6    7 DT  H2'1    1.710   2.250
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 260, r1= 1.21, r2= 1.71, r3= 2.25, r4= 2.75,  &end
#
#   7 DT    H6    7 DT  H2'2    3.220   3.730
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 261, r1= 2.72, r2= 3.22, r3= 3.73, r4= 4.23,  &end
#
#   8 DT    H6    7 DT  H2'1    3.650   4.120
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 260, r1= 3.15, r2= 3.65, r3= 4.12, r4= 4.62,  &end
#
#   8 DT    H6    7 DT  H2'2    2.180   2.660
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 261, r1= 1.68, r2= 2.18, r3= 2.66, r4= 3.16,  &end
#
#   8 DT    H6    7 DT  H1'     2.800   3.590
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 242, r1= 2.30, r2= 2.80, r3= 3.59, r4= 4.09,  &end
#
#   8 DT    H6    7 DT  H6      4.710   5.390  
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 245, r1= 4.21, r2= 4.71, r3= 5.39, r4= 5.89,  &end
#
#   8 DT    Q5 7 DT  H3'     2.380   4.510         
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.88, r2= 2.38, r3= 5.42, r4= 5.92,
 igr1= 280, 281, 282,
 &end
#
#   8 DT    Q5 7 DT  H2'1    2.170   3.000         
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 260, r1= 1.67, r2= 2.17, r3= 3.60, r4= 4.10,
 igr1= 280, 281, 282,
 &end
#
#   8 DT    Q5 7 DT  H2'2    2.130   3.040         
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.63, r2= 2.13, r3= 3.65, r4= 4.15,
 igr1= 280, 281, 282,
 &end
#
#   8 DT    Q5 7 DT  H1'     2.910   4.410
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 2.41, r2= 2.91, r3= 5.30, r4= 5.80,
 igr1= 280, 281, 282,
 &end
#
#   8 DT    Q5 7 DT  H6      2.520   3.470  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 2.02, r2= 2.52, r3= 4.17, r4= 4.67,
 igr1= 280, 281, 282,
 &end
#
#   8 DT    H3'   7 DT  H1'     4.610   5.490
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 242, r1= 4.11, r2= 4.61, r3= 5.49, r4= 5.99,  &end
#
#   8 DT    H2'1  8 DT  H3'     2.300   3.230
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 290, r1= 1.80, r2= 2.30, r3= 3.23, r4= 3.73,  &end
#
#   8 DT    H2'2  8 DT  H3'     2.400   3.060
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 290, r1= 1.90, r2= 2.40, r3= 3.06, r4= 3.56,  &end
#
#   8 DT    H1'   8 DT  H3'     3.500   5.100
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 290, r1= 3.00, r2= 3.50, r3= 5.10, r4= 5.60,  &end
#
#   8 DT    H1'   8 DT  H2'1    2.720   3.200
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 292, r1= 2.22, r2= 2.72, r3= 3.20, r4= 3.70,  &end
#
#   8 DT    Q5    8 DT  H3'     3.050   5.940
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 2.55, r2= 3.05, r3= 7.13, r4= 7.63,
 igr1= 280, 281, 282,
 &end
#
#   8 DT    Q5    8 DT  H1'     3.190   5.960
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 2.69, r2= 3.19, r3= 7.16, r4= 7.66,
 igr1= 280, 281, 282,
 &end
#
#   8 DT    H6    8 DT  H2'1    2.000   2.880
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 292, r1= 1.50, r2= 2.00, r3= 2.88, r4= 3.38,  &end
#
#   8 DT    H6    8 DT  H2'2    3.770   4.280
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 293, r1= 3.27, r2= 3.77, r3= 4.28, r4= 4.78,  &end
#
#   8 DT    H6    8 DT  H1'     3.530   4.220
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 274, r1= 3.03, r2= 3.53, r3= 4.22, r4= 4.72,  &end
#
#   9 DC    H6 8 DT  H2'1    3.600   4.310    
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 292, r1= 3.10, r2= 3.60, r3= 4.31, r4= 4.81,  &end
#
#   9 DC    H6 8 DT  H2'2    2.000   2.840  
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 293, r1= 1.50, r2= 2.00, r3= 2.84, r4= 3.34,  &end
#
#   9 DC    H6 8 DT  H1'     2.830   3.490    
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 274, r1= 2.33, r2= 2.83, r3= 3.49, r4= 3.99,  &end
#
#   9 DC    H6 8 DT  H6      4.900   5.300    
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 277, r1= 4.40, r2= 4.90, r3= 5.30, r4= 5.80,  &end
#
#   9 DC    H5 8 DT  H3'     5.000   5.500    
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 290, r1= 4.50, r2= 5.00, r3= 5.50, r4= 6.00,  &end
#
#   9 DC    H5 8 DT  H2'2    2.410   3.360    
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 293, r1= 1.91, r2= 2.41, r3= 3.36, r4= 3.86,  &end
#
#   9 DC    H5 8 DT  H1'     3.320   4.050 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 274, r1= 2.82, r2= 3.32, r3= 4.05, r4= 4.55,  &end
#
#   9 DC    H5 8 DT  Q5      2.810   3.900    
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 2.31, r2= 2.81, r3= 4.68, r4= 5.18,
 igr2= 280, 281, 282,
 &end
#
#   9 DC    H5 8 DT  H6      3.590   4.080
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 277, r1= 3.09, r2= 3.59, r3= 4.08, r4= 4.58,  &end
#
#   9 DC    H1'   9 DC  H3'     3.730   4.290 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 320, r1= 3.23, r2= 3.73, r3= 4.29, r4= 4.79,  &end
#
#   9 DC    H1'   9 DC  H2'1    2.780   3.270
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 322, r1= 2.28, r2= 2.78, r3= 3.27, r4= 3.77,  &end
#
#   9 DC    H1'   9 DC  H2'2    2.120   2.660
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 323, r1= 1.62, r2= 2.12, r3= 2.66, r4= 3.16,  &end
#
#   9 DC    H5    9 DC  H2'1    4.100   4.680
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 322, r1= 3.60, r2= 4.10, r3= 4.68, r4= 5.18,  &end
#
#   9 DC    H5    9 DC  H2'2    5.300   5.740
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 323, r1= 4.80, r2= 5.30, r3= 5.74, r4= 6.24,  &end
#
#   9 DC    H6    9 DC  H2'1    1.700   2.160
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 322, r1= 1.20, r2= 1.70, r3= 2.16, r4= 2.66,  &end
#
#   9 DC    H6    9 DC  H2'2    3.220   3.730
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 323, r1= 2.72, r2= 3.22, r3= 3.73, r4= 4.23,  &end
#
#   9 DC    H6    9 DC  H1'     3.500   4.210
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 306, r1= 3.00, r2= 3.50, r3= 4.21, r4= 4.71,  &end
#
#  10 DA3   H8    9 DC  H2'1    3.590   4.290
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 322, r1= 3.09, r2= 3.59, r3= 4.29, r4= 4.79,  &end
#
#  10 DA3   H8    9 DC  H2'2    2.480   2.980
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 323, r1= 1.98, r2= 2.48, r3= 2.98, r4= 3.48,  &end
#
#  10 DA3   H8    9 DC  H6      4.430   5.240
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 309, r1= 3.93, r2= 4.43, r3= 5.24, r4= 5.74,  &end
#
#  10 DA3   H8    9 DC  H1'     3.590   4.390
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 306, r1= 3.09, r2= 3.59, r3= 4.39, r4= 4.89,  &end
#
#  10 DA3   H2'1 10 DA3 H3'     2.270   2.770
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 352, r1= 1.77, r2= 2.27, r3= 2.77, r4= 3.27,  &end
#
#  10 DA3   H2'2 10 DA3 H3'     2.510   3.070
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 352, r1= 2.01, r2= 2.51, r3= 3.07, r4= 3.57,  &end
#
#  10 DA3   H1'  10 DA3 H3'     3.550   4.060
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 352, r1= 3.05, r2= 3.55, r3= 4.06, r4= 4.56,  &end
#
#  10 DA3   H1'  10 DA3 H2'1    2.710   3.200
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 354, r1= 2.21, r2= 2.71, r3= 3.20, r4= 3.70,  &end
#
#  10 DA3   H1'  10 DA3 H2'2    1.980   2.550
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 355, r1= 1.48, r2= 1.98, r3= 2.55, r4= 3.05,  &end
#
#  10 DA3   H8   10 DA3 H3'     4.150   4.730
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 352, r1= 3.65, r2= 4.15, r3= 4.73, r4= 5.23,  &end
#
#  10 DA3   H8   10 DA3 H2'2    3.460   3.960
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 355, r1= 2.96, r2= 3.46, r3= 3.96, r4= 4.46,  &end
#
#  10 DA3   H8   10 DA3 H1'     3.570   4.070
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 336, r1= 3.07, r2= 3.57, r3= 4.07, r4= 4.57,  &end
#
#  11 DT5   H1'  11 DT5 H3'     3.740   4.280
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 383, r1= 3.24, r2= 3.74, r3= 4.28, r4= 4.78,  &end
#
#  11 DT5   H1'  11 DT5 H2'1    2.720   3.200
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 385, r1= 2.22, r2= 2.72, r3= 3.20, r4= 3.70,  &end
#
#  11 DT5   H1'  11 DT5 H2'2    2.120   2.610
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 386, r1= 1.62, r2= 2.12, r3= 2.61, r4= 3.11,  &end
#
#  11 DT5   Q5   11 DT5 H1'     3.410   5.850
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 367, r1= 2.91, r2= 3.41, r3= 7.03, r4= 7.53,
 igr1= 373, 374, 375,
 &end
#
#  11 DT5   H6   11 DT5 H3'     3.820   4.280
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 383, r1= 3.32, r2= 3.82, r3= 4.28, r4= 4.78,  &end
#
#  11 DT5   H6   11 DT5 H2'1    1.730   2.340
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 385, r1= 1.23, r2= 1.73, r3= 2.34, r4= 2.84,  &end
#
#  11 DT5   H6   11 DT5 H2'2    3.110   3.810
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 386, r1= 2.61, r2= 3.11, r3= 3.81, r4= 4.31,  &end
#
#  11 DT5   H6   11 DT5 H1'     2.730   4.390
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 367, r1= 2.23, r2= 2.73, r3= 4.39, r4= 4.89,  &end
#
#  11 DT5   H6   11 DT5 Q5      2.020   2.850
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.52, r2= 2.02, r3= 3.42, r4= 3.92,
 igr2= 373, 374, 375,
 &end
#
#  12 DG    H8   11 DT5 H3'     4.990   5.480
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 383, r1= 4.49, r2= 4.99, r3= 5.48, r4= 5.98,  &end
#
#  12 DG    H8   11 DT5 H2'1    3.590   4.680
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 385, r1= 3.09, r2= 3.59, r3= 4.68, r4= 5.18,  &end
#
#  12 DG    H8   11 DT5 H2'2    2.570   3.640
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 386, r1= 2.07, r2= 2.57, r3= 3.64, r4= 4.14,  &end
#
#  12 DG    H8   11 DT5 H1'     3.550   4.420
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 367, r1= 3.05, r2= 3.55, r3= 4.42, r4= 4.92,  &end
#
#  12 DG    H8   11 DT5 H6      4.660   5.240
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 370, r1= 4.16, r2= 4.66, r3= 5.24, r4= 5.74,  &end
#
#  12 DG    H8   12 DG  H1'     3.700   5.260 
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 399, r1= 3.20, r2= 3.70, r3= 5.26, r4= 5.76,  &end
#
#  13 DA    H8   12 DG  H1'     3.240   4.180
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 399, r1= 2.74, r2= 3.24, r3= 4.18, r4= 4.68,  &end
#
#  13 DA    H8   12 DG  H8      5.180   5.790
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 402, r1= 4.68, r2= 5.18, r3= 5.79, r4= 6.29,  &end
#
#  13 DA    H8   12 DG  H2'1    4.500   5.000
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 418, r1= 4.00, r2= 4.50, r3= 5.00, r4= 5.50,  &end
#
#  13 DA    H8   12 DG  H2'2    2.980   3.600 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 419, r1= 2.48, r2= 2.98, r3= 3.60, r4= 4.10,  &end
#
#  13 DA    H1'  13 DA  H3'     3.630   4.150
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 448, r1= 3.13, r2= 3.63, r3= 4.15, r4= 4.65,  &end
#
#  13 DA    H1'  13 DA  H2'1    2.750   3.230
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 450, r1= 2.25, r2= 2.75, r3= 3.23, r4= 3.73,  &end
#
#  13 DA    H1'  13 DA  H2'2    2.120   2.610
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 451, r1= 1.62, r2= 2.12, r3= 2.61, r4= 3.11,  &end
#
#  13 DA    H8   13 DA  H1'     3.680   4.180
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 432, r1= 3.18, r2= 3.68, r3= 4.18, r4= 4.68,  &end
#
#  13 DA    H8   13 DA  H2'2    3.480   3.980 
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 451, r1= 2.98, r2= 3.48, r3= 3.98, r4= 4.48,  &end
#
#  14 DA    H8   13 DA  H1'     2.410   3.490
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 432, r1= 1.91, r2= 2.41, r3= 3.49, r4= 3.99,  &end
#
#  14 DA    H8   13 DA  H8      4.490   4.990
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 435, r1= 3.99, r2= 4.49, r3= 4.99, r4= 5.49,  &end
#
#  14 DA    H8   13 DA  H2'1    3.800   4.300
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 450, r1= 3.30, r2= 3.80, r3= 4.30, r4= 4.80,  &end
#
#  14 DA    H8   13 DA  H2'2    2.300   2.900  
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 451, r1= 1.80, r2= 2.30, r3= 2.90, r4= 3.40,  &end
#
#  14 DA    H1'  14 DA  H2'1    2.800   3.310
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 482, r1= 2.30, r2= 2.80, r3= 3.31, r4= 3.81,  &end
#
#  14 DA    H1'  14 DA  H2'2    2.120   2.630
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.62, r2= 2.12, r3= 2.63, r4= 3.13,  &end
#
#  14 DA    H8   14 DA  H2'1    2.030   2.510
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 482, r1= 1.53, r2= 2.03, r3= 2.51, r4= 3.01,  &end
#
#  14 DA    H8   14 DA  H1'     3.650   4.130  
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 464, r1= 3.15, r2= 3.65, r3= 4.13, r4= 4.63,  &end
#
#  15 DC   H2'1  15 DC    H3'    2.200   3.450    
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 510, r1= 1.70, r2= 2.20, r3= 3.45, r4= 3.95,  &end
#
#  15 DC   H1'   15 DC    H3'    3.030   4.410    
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 510, r1= 2.53, r2= 3.03, r3= 4.41, r4= 4.91,  &end
#
#  15 DC   H1'   15 DC    H2'1   3.200   4.980    
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 512, r1= 2.70, r2= 3.20, r3= 4.98, r4= 5.48,  &end
#
#  15 DC   H6    14 DA    H2'1   2.570   4.770    
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 482, r1= 2.07, r2= 2.57, r3= 4.77, r4= 5.27,  &end
#
#  15 DC   H6    14 DA    H2'2   1.550   2.620    
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 483, r1= 1.05, r2= 1.55, r3= 2.62, r4= 3.12,  &end
#
#  15 DC   H6    14 DA    H1'    3.080   3.860    
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 464, r1= 2.58, r2= 3.08, r3= 3.86, r4= 4.36,  &end
#
#  15 DC   H6    14 DA    H8     3.280   5.690    
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 467, r1= 2.78, r2= 3.28, r3= 5.69, r4= 6.19,  &end
#
#  15 DC   H6    15 DC    H3'    2.850   3.910    
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 510, r1= 2.35, r2= 2.85, r3= 3.91, r4= 4.41,  &end
#
#  15 DC   H6    15 DC    H2'1   2.090   3.240    
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 512, r1= 1.59, r2= 2.09, r3= 3.24, r4= 3.74,  &end
#
#  15 DC   H6    15 DC    H1'    3.020   3.820    
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 496, r1= 2.52, r2= 3.02, r3= 3.82, r4= 4.32,  &end
#
#  15 DC   H5    14 DA    H2'1   1.770   3.290    
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 482, r1= 1.27, r2= 1.77, r3= 3.29, r4= 3.79,  &end
#
#  15 DC   H5    14 DA    H2'2   2.090   3.190    
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 483, r1= 1.59, r2= 2.09, r3= 3.19, r4= 3.69,  &end
#
#  15 DC   H2'2  15 DC    H3'    2.290   3.710    
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 510, r1= 1.79, r2= 2.29, r3= 3.71, r4= 4.21,  &end
#
#  15 DC   H2'2  15 DC    H1'    2.110   3.160    
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 496, r1= 1.61, r2= 2.11, r3= 3.16, r4= 3.66,  &end
#
#  15 DC   H2'2  15 DC    H6     2.740   4.560    
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 499, r1= 2.24, r2= 2.74, r3= 4.56, r4= 5.06,  &end
#
#  16 DC   H5    15 DC    H3'    3.310   4.590    
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 510, r1= 2.81, r2= 3.31, r3= 4.59, r4= 5.09,  &end
#
#  16 DC   H5    15 DC    H1'    3.530   5.290    
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 496, r1= 3.03, r2= 3.53, r3= 5.29, r4= 5.79,  &end
#
#  16 DC   H5    15 DC    H2'2   2.800   4.250        
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 513, r1= 2.30, r2= 2.80, r3= 4.25, r4= 4.75,  &end
#
#  16 DC   H6    15 DC    H3'    3.160   4.780    
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 510, r1= 2.66, r2= 3.16, r3= 4.78, r4= 5.28,  &end
#
#  16 DC   H6    15 DC    H2'1   2.260   3.560    
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 512, r1= 1.76, r2= 2.26, r3= 3.56, r4= 4.06,  &end
#
#  16 DC   H6    15 DC    H1'    3.070   4.370    
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 496, r1= 2.57, r2= 3.07, r3= 4.37, r4= 4.87,  &end
#
#  16 DC   H6    15 DC    H6     3.340   4.910    
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 499, r1= 2.84, r2= 3.34, r3= 4.91, r4= 5.41,  &end
#
#  16 DC   H6    15 DC    H2'2   2.310   3.640
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 513, r1= 1.81, r2= 2.31, r3= 3.64, r4= 4.14,  &end
#
#  16 DC    H1'  16 DC  H2'2    2.130   2.630
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 543, r1= 1.63, r2= 2.13, r3= 2.63, r4= 3.13,  &end
#
#  16 DC    H5   16 DC  H2'1    4.050   4.530
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 542, r1= 3.55, r2= 4.05, r3= 4.53, r4= 5.03,  &end
#
#  16 DC    H5   16 DC  H2'2    5.260   5.750
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 543, r1= 4.76, r2= 5.26, r3= 5.75, r4= 6.25,  &end
#
#  16 DC    H6   16 DC  H3'     3.760   4.270
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 540, r1= 3.26, r2= 3.76, r3= 4.27, r4= 4.77,  &end
#
#  16 DC    H6   16 DC  H2'1    1.740   2.260
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 542, r1= 1.24, r2= 1.74, r3= 2.26, r4= 2.76,  &end
#
#  16 DC    H6   16 DC  H2'2    3.120   3.710
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 543, r1= 2.62, r2= 3.12, r3= 3.71, r4= 4.21,  &end
#
#  16 DC    H6   16 DC  H1'     3.520   4.040
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 526, r1= 3.02, r2= 3.52, r3= 4.04, r4= 4.54,  &end
#
#  16 DC    H2'1  5 FAG H2B     1.840   2.980
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 172, r1= 1.34, r2= 1.84, r3= 2.98, r4= 3.48,  &end
#
#  16 DC    H2'2  5 FAG H2B     2.040   3.380
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 172, r1= 1.54, r2= 2.04, r3= 3.38, r4= 3.88,  &end
#
#  16 DC    H1'   5 FAG H2B     2.750   3.890
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 172, r1= 2.25, r2= 2.75, r3= 3.89, r4= 4.39,  &end
#
#  16 DC    H6    5 FAG H2B     2.250   3.090
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 172, r1= 1.75, r2= 2.25, r3= 3.09, r4= 3.59,  &end
#
#  17 DT    H6    5 FAG H3A     3.570   3.970
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 174, r1= 3.07, r2= 3.57, r3= 3.97, r4= 4.47,  &end
#
#  17 DT    H6    5 FAG H3B     4.470   4.970
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 175, r1= 3.97, r2= 4.47, r3= 4.97, r4= 5.47,  &end
#
#  17 DT    H6    5 FAG H2A     3.670   4.070
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 171, r1= 3.17, r2= 3.67, r3= 4.07, r4= 4.57,  &end
#
#  17 DT    H6    5 FAG H2B     4.570   5.070
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 172, r1= 4.07, r2= 4.57, r3= 5.07, r4= 5.57,  &end
#
#  17 DT    H2'2 17 DT  H3'     2.470   2.970
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 572, r1= 1.97, r2= 2.47, r3= 2.97, r4= 3.47,  &end
#
#  17 DT    H1'  17 DT  H3'     3.660   4.210
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 572, r1= 3.16, r2= 3.66, r3= 4.21, r4= 4.71,  &end
#
#  17 DT    H1'  17 DT  H2'2    2.110   2.650
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 575, r1= 1.61, r2= 2.11, r3= 2.65, r4= 3.15,  &end
#
#  17 DT    H6   17 DT  H3'     3.770   4.570
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 572, r1= 3.27, r2= 3.77, r3= 4.57, r4= 5.07,  &end
#
#  17 DT    H6   17 DT  H2'1    1.740   2.290
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 574, r1= 1.24, r2= 1.74, r3= 2.29, r4= 2.79,  &end
#
#  17 DT    H6   17 DT  H2'2    2.940   3.690
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 575, r1= 2.44, r2= 2.94, r3= 3.69, r4= 4.19,  &end
#
#  17 DT    H6   17 DT  H1'     3.430   3.940
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 556, r1= 2.93, r2= 3.43, r3= 3.94, r4= 4.44,  &end
#
#  17 DT    Q5   17 DT  H2'2    1.930   5.280
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.43, r2= 1.93, r3= 6.34, r4= 6.84,
 igr1= 562, 563, 564,
 &end
#
#  17 DT    Q5   17 DT  H1'     2.890   5.510
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 556, r1= 2.39, r2= 2.89, r3= 6.62, r4= 7.12,
 igr1= 562, 563, 564,
 &end
#
#  17 DT    Q5   17 DT  H6      2.570   3.830
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 2.07, r2= 2.57, r3= 4.60, r4= 5.10,
 igr1= 562, 563, 564,
 &end
#
#  18 DT    H3   17 DT  H3      4.330   4.850 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 568, r1= 3.83, r2= 4.33, r3= 4.85, r4= 5.35,  &end
#
#  18 DT    H1'  17 DT  H1'     5.110   5.690
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 556, r1= 4.61, r2= 5.11, r3= 5.69, r4= 6.19,  &end
#
#  18 DT    Q5   17 DT  H2'1    1.990   3.080
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.49, r2= 1.99, r3= 3.70, r4= 4.20,
 igr1= 594, 595, 596,
 &end
#
#  18 DT    Q5   17 DT  H2'2    2.580   3.560
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 2.08, r2= 2.58, r3= 4.28, r4= 4.78,
 igr1= 594, 595, 596,
 &end
#
#  18 DT    Q5   17 DT  H6      2.720   3.810
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 2.22, r2= 2.72, r3= 4.58, r4= 5.08,
 igr1= 594, 595, 596,
 &end
#
#  18 DT    H6   17 DT  H2'1    3.970   4.330
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 574, r1= 3.47, r2= 3.97, r3= 4.33, r4= 4.83,  &end
#
#  18 DT    H6   17 DT  H2'2    2.470   2.730
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 575, r1= 1.97, r2= 2.47, r3= 2.73, r4= 3.23,  &end
#
#  18 DT    H6   17 DT  H1'     2.920   3.190
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 556, r1= 2.42, r2= 2.92, r3= 3.19, r4= 3.69,  &end
#
#  18 DT    H6   17 DT  H6      5.100   5.370
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 559, r1= 4.60, r2= 5.10, r3= 5.37, r4= 5.87,  &end
#
#  18 DT    H1'  18 DT  H3'     3.630   4.160
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 604, r1= 3.13, r2= 3.63, r3= 4.16, r4= 4.66,  &end
#
#  18 DT    H1'  18 DT  H2'1    2.820   3.360
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 606, r1= 2.32, r2= 2.82, r3= 3.36, r4= 3.86,  &end
#
#  18 DT    H1'  18 DT  H2'2    2.110   2.640
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 607, r1= 1.61, r2= 2.11, r3= 2.64, r4= 3.14,  &end
#
#  18 DT    Q5   18 DT  H1'     3.940   5.610
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 3.44, r2= 3.94, r3= 6.74, r4= 7.24,
 igr1= 594, 595, 596,
 &end
#
#  18 DT    H6   18 DT  H2'1    1.640   2.210
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 606, r1= 1.14, r2= 1.64, r3= 2.21, r4= 2.71,  &end
#
#  18 DT    H6   18 DT  H1'     3.460   3.940
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 588, r1= 2.96, r2= 3.46, r3= 3.94, r4= 4.44,  &end
#
#  19 DA    H2   18 DT  H3      4.130   4.650 
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 600, r1= 3.63, r2= 4.13, r3= 4.65, r4= 5.15,  &end
#
#  19 DA    H8   18 DT  H2'1    4.860   5.110
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 606, r1= 4.36, r2= 4.86, r3= 5.11, r4= 5.61,  &end
#
#  19 DA    H8   18 DT  H2'2    3.100   3.390
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 607, r1= 2.60, r2= 3.10, r3= 3.39, r4= 3.89,  &end
#
#  19 DA    H8   18 DT  H1'     3.820   4.190
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 588, r1= 3.32, r2= 3.82, r3= 4.19, r4= 4.69,  &end
#
#  19 DA    H8   18 DT  H6      6.200   6.470
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 591, r1= 5.70, r2= 6.20, r3= 6.47, r4= 6.97,  &end
#
#  19 DA    H2'2 19 DA  H3'     2.390   2.920
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 636, r1= 1.89, r2= 2.39, r3= 2.92, r4= 3.42,  &end
#
#  19 DA    H1'  19 DA  H3'     3.660   4.110
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 636, r1= 3.16, r2= 3.66, r3= 4.11, r4= 4.61,  &end
#
#  19 DA    H1'  19 DA  H2'1    2.730   3.280
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 638, r1= 2.23, r2= 2.73, r3= 3.28, r4= 3.78,  &end
#
#  19 DA    H1'  19 DA  H2'2    2.120   2.690
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 639, r1= 1.62, r2= 2.12, r3= 2.69, r4= 3.19,  &end
#
#  19 DA    H8   19 DA  H3'     4.130   4.660
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 636, r1= 3.63, r2= 4.13, r3= 4.66, r4= 5.16,  &end
#
#  19 DA    H8   19 DA  H2'2    3.340   3.990
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 639, r1= 2.84, r2= 3.34, r3= 3.99, r4= 4.49,  &end
#
#  19 DA    H8   19 DA  H1'     3.630   4.130
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 620, r1= 3.13, r2= 3.63, r3= 4.13, r4= 4.63,  &end
#
#  20 DG3   H1   19 DA  H2      4.130   4.650 
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 632, r1= 3.63, r2= 4.13, r3= 4.65, r4= 5.15,  &end
#
#  20 DG3   H3'  19 DA  H1'     5.130   5.650
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 620, r1= 4.63, r2= 5.13, r3= 5.65, r4= 6.15,  &end
#
#  20 DG3   H8   19 DA  H3'     5.170   5.490
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 636, r1= 4.67, r2= 5.17, r3= 5.49, r4= 5.99,  &end
#
#  20 DG3   H8   19 DA  H2'1    3.880   4.220
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 638, r1= 3.38, r2= 3.88, r3= 4.22, r4= 4.72,  &end
#
#  20 DG3   H8   19 DA  H2'2    2.550   2.840
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 639, r1= 2.05, r2= 2.55, r3= 2.84, r4= 3.34,  &end
#
#  20 DG3   H8   19 DA  H1'     3.330   3.610
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 620, r1= 2.83, r2= 3.33, r3= 3.61, r4= 4.11,  &end
#
#  20 DG3   H8   19 DA  H8      4.370   4.990
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 623, r1= 3.87, r2= 4.37, r3= 4.99, r4= 5.49,  &end
#
#  20 DG3   H8   20 DG3 H3'     4.180   4.670
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 669, r1= 3.68, r2= 4.18, r3= 4.67, r4= 5.17,  &end
#
#  20 DG3   H8   20 DG3 H2'1    2.040   2.500
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 671, r1= 1.54, r2= 2.04, r3= 2.50, r4= 3.00,  &end
#
#  20 DG3   H8   20 DG3 H2'2    3.510   4.050
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 672, r1= 3.01, r2= 3.51, r3= 4.05, r4= 4.55,  &end
#
#  20 DG3   H2'1 20 DG3 H3'     2.210   2.720
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 669, r1= 1.71, r2= 2.21, r3= 2.72, r4= 3.22,  &end
#
#  20 DG3   H2'2 20 DG3 H3'     2.430   2.990
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 669, r1= 1.93, r2= 2.43, r3= 2.99, r4= 3.49,  &end
#
#  20 DG3   H1'  20 DG3 H3'     3.640   4.100
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 669, r1= 3.14, r2= 3.64, r3= 4.10, r4= 4.60,  &end
#
#  20 DG3   H1'  20 DG3 H2'1    2.700   3.270
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 671, r1= 2.20, r2= 2.70, r3= 3.27, r4= 3.77,  &end
#
#  20 DG3   H1'  20 DG3 H2'2    1.990   2.520
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 672, r1= 1.49, r2= 1.99, r3= 2.52, r4= 3.02,  &end
#
#  20 DG3   H8   20 DG3 H1'     3.650   4.140
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 652, r1= 3.15, r2= 3.65, r3= 4.14, r4= 4.64,  &end
#
#  1  DC5  H42 20  DG3  O6  1.80 2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 659, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  1  DC5  N3 20  DG3  H1  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 661, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  1  DC5  N3 20  DG3  N1  2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 660, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  1  DC5  N4 20  DG3  O6  2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 659, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  1  DC5  O2 20  DG3  H22  1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 665, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#  2  DT   H3 19  DA   N1  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 630, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  2  DT   N3 19  DA   N1  2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 630, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  2  DT   O4 19  DA   H61  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 628, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  3  DA   H61 18  DT   O4  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 598, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  3  DA   N1 18  DT   H3  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 600, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  3  DA   N1 18  DT   N3  2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 599, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  4  DA   H61 17  DT   O4  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 566, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  4  DA   N1 17  DT   H3  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 568, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  4  DA   N1 17  DT   N3  2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 567, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  5  FAG  H1 16  DC   N3  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 536, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  5  FAG  H22 16  DC   O2  1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 538, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#  5  FAG  N1 16  DC   N3  2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 536, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  5  FAG  O6 16  DC   H42  1.80 2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 535, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  5  FAG  O6 16  DC   N4  2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 533, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  5  FAG  HN9  5  FAG  O8  3.01 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 153, r1= 2.51, r2= 3.01, r3= 3.21, r4= 3.71,  &end
#
#  6  7dG  H1 15  DC   N3  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 506, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  6  7dG  H22 15  DC   O2  1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 508, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#  6  7dG  N1 15  DC   N3  2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 506, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  6  7dG  O6 15  DC   H42  1.80 2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 505, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  6  7dG  O6 15  DC   N4  2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 503, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  7  DT   H3 14  DA   N1  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 474, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  7  DT   N3 14  DA   N1  2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 474, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  7  DT   O4 14  DA   H61  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 472, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  8  DT   H3 13  DA   N1  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 442, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  8  DT   N3 13  DA   N1  2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 442, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  8  DT   O4 13  DA   H61  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 440, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  9  DC   H42 12  DG   O6  1.80 2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 406, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  9  DC   N3 12  DG   H1  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 408, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  9  DC   N3 12  DG   N1  2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 407, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  9  DC   N4 12  DG   O6  2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 406, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  9  DC   O2 12  DG   H22  1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 412, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#  10 DA3  H61 11  DT5  O4  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 377, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  10 DA3  N1 11  DT5  H3  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 379, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  10 DA3  N1 11  DT5  N3  2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 378, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
# 674 atoms read from pdb file AGdG_amber.pdb.
# 2 DT ALPHA:  (1 DC5 O3')-(2 DT P)-(2 DT O5')-(2 DT C5') -90.0 -30.0
 &rst     iat =    28,    29,    32,    33,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 =   2.0, rk3 =   2.0,    &end

# 3 DA ALPHA:  (2 DT O3')-(3 DA P)-(3 DA O5')-(3 DA C5') -90.0 -30.0
 &rst     iat =    60,    61,    64,    65,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 4 DA ALPHA:  (3 DA O3')-(4 DA P)-(4 DA O5')-(4 DA C5') -90.0 -30.0
 &rst     iat =    92,    93,    96,    97,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 6 7dG ALPHA:  (5 FAG O3')-(6 7dG P)-(6 7dG O5')-(6 7dG C5') -90.0 -30.0
 &rst     iat =   196,   197,   200,   201,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 7 DT ALPHA:  (6 7dG O3')-(7 DT P)-(7 DT O5')-(7 DT C5') -90.0 -30.0
 &rst     iat =   230,   231,   234,   235,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 8 DT ALPHA:  (7 DT O3')-(8 DT P)-(8 DT O5')-(8 DT C5') -90.0 -30.0
 &rst     iat =   262,   263,   266,   267,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 9 DC ALPHA:  (8 DT O3')-(9 DC P)-(9 DC O5')-(9 DC C5') -90.0 -30.0
 &rst     iat =   294,   295,   298,   299,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 12 DG ALPHA:  (11 DT5 O3')-(12 DG P)-(12 DG O5')-(12 DG C5') -90.0 -30.0
 &rst     iat =   387,   388,   391,   392,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 13 DA ALPHA:  (12 DG O3')-(13 DA P)-(13 DA O5')-(13 DA C5') -90.0 -30.0
 &rst     iat =   420,   421,   424,   425,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 14 DA ALPHA:  (13 DA O3')-(14 DA P)-(14 DA O5')-(14 DA C5') -90.0 -30.0
 &rst     iat =   452,   453,   456,   457,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 DC ALPHA:  (14 DA O3')-(15 DC P)-(15 DC O5')-(15 DC C5') -90.0 -30.0
 &rst     iat =   484,   485,   488,   489,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 17 DT ALPHA:  (16 DC O3')-(17 DT P)-(17 DT O5')-(17 DT C5') -90.0 -30.0
 &rst     iat =   544,   545,   548,   549,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 18 DT ALPHA:  (17 DT O3')-(18 DT P)-(18 DT O5')-(18 DT C5') -90.0 -30.0
 &rst     iat =   576,   577,   580,   581,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 19 DA ALPHA:  (18 DT O3')-(19 DA P)-(19 DA O5')-(19 DA C5') -90.0 -30.0
 &rst     iat =   608,   609,   612,   613,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 2 DT BETA:  (2 DT P)-(2 DT O5')-(2 DT C5')-(2 DT C4') 150.0 210.0
 &rst     iat =    29,    32,    33,    36,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 3 DA BETA:  (3 DA P)-(3 DA O5')-(3 DA C5')-(3 DA C4') 150.0 210.0
 &rst     iat =    61,    64,    65,    68,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 DA BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') 150.0 210.0
 &rst     iat =    93,    96,    97,   100,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 6 7dG BETA:  (6 7dG P)-(6 7dG O5')-(6 7dG C5')-(6 7dG C4') 150.0 210.0
 &rst     iat =   197,   200,   201,   204,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 7 DT BETA:  (7 DT P)-(7 DT O5')-(7 DT C5')-(7 DT C4') 150.0 210.0
 &rst     iat =   231,   234,   235,   238,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 8 DT BETA:  (8 DT P)-(8 DT O5')-(8 DT C5')-(8 DT C4') 150.0 210.0
 &rst     iat =   263,   266,   267,   270,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 9 DC BETA:  (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') 150.0 210.0
 &rst     iat =   295,   298,   299,   302,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 12 DG BETA:  (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') 150.0 210.0
 &rst     iat =   388,   391,   392,   395,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 13 DA BETA:  (13 DA P)-(13 DA O5')-(13 DA C5')-(13 DA C4') 150.0 210.0
 &rst     iat =   421,   424,   425,   428,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 14 DA BETA:  (14 DA P)-(14 DA O5')-(14 DA C5')-(14 DA C4') 150.0 210.0
 &rst     iat =   453,   456,   457,   460,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 DC BETA:  (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') 150.0 210.0
 &rst     iat =   485,   488,   489,   492,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 17 DT BETA:  (17 DT P)-(17 DT O5')-(17 DT C5')-(17 DT C4') 150.0 210.0
 &rst     iat =   545,   548,   549,   552,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 18 DT BETA:  (18 DT P)-(18 DT O5')-(18 DT C5')-(18 DT C4') 150.0 210.0
 &rst     iat =   577,   580,   581,   584,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 19 DA BETA:  (19 DA P)-(19 DA O5')-(19 DA C5')-(19 DA C4') 150.0 210.0
 &rst     iat =   609,   612,   613,   616,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 2 DT GAMMA:  (2 DT O5')-(2 DT C5')-(2 DT C4')-(2 DT C3')  30.0  90.0
 &rst     iat =    32,    33,    36,    55,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 3 DA GAMMA:  (3 DA O5')-(3 DA C5')-(3 DA C4')-(3 DA C3')  30.0  90.0
 &rst     iat =    64,    65,    68,    87,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 4 DA GAMMA:  (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3')  30.0  90.0
 &rst     iat =    96,    97,   100,   119,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 6 7dG GAMMA:  (6 7dG O5')-(6 7dG C5')-(6 7dG C4')-(6 7dG C3')  30.0  90.0
 &rst     iat =   200,   201,   204,   225,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 7 DT GAMMA:  (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3')  30.0  90.0
 &rst     iat =   234,   235,   238,   257,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 8 DT GAMMA:  (8 DT O5')-(8 DT C5')-(8 DT C4')-(8 DT C3')  30.0  90.0
 &rst     iat =   266,   267,   270,   289,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 9 DC GAMMA:  (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3')  30.0  90.0
 &rst     iat =   298,   299,   302,   319,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 12 DG GAMMA:  (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3')  30.0  90.0
 &rst     iat =   391,   392,   395,   415,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 13 DA GAMMA:  (13 DA O5')-(13 DA C5')-(13 DA C4')-(13 DA C3')  30.0  90.0
 &rst     iat =   424,   425,   428,   447,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 14 DA GAMMA:  (14 DA O5')-(14 DA C5')-(14 DA C4')-(14 DA C3')  30.0  90.0
 &rst     iat =   456,   457,   460,   479,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 15 DC GAMMA:  (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3')  30.0  90.0
 &rst     iat =   488,   489,   492,   509,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 17 DT GAMMA:  (17 DT O5')-(17 DT C5')-(17 DT C4')-(17 DT C3')  30.0  90.0
 &rst     iat =   548,   549,   552,   571,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 18 DT GAMMA:  (18 DT O5')-(18 DT C5')-(18 DT C4')-(18 DT C3')  30.0  90.0
 &rst     iat =   580,   581,   584,   603,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 19 DA GAMMA:  (19 DA O5')-(19 DA C5')-(19 DA C4')-(19 DA C3')  30.0  90.0
 &rst     iat =   612,   613,   616,   635,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 2 DT EPSILN:  (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DA P) 165.0 225.0
 &rst     iat =    36,    55,    60,    61,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 3 DA EPSILN:  (3 DA C4')-(3 DA C3')-(3 DA O3')-(4 DA P) 165.0 225.0
 &rst     iat =    68,    87,    92,    93,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 4 DA EPSILN:  (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 FAG P) 165.0 225.0
 &rst     iat =   100,   119,   124,   125,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 6 7dG EPSILN:  (6 7dG C4')-(6 7dG C3')-(6 7dG O3')-(7 DT P) 165.0 225.0
 &rst     iat =   204,   225,   230,   231,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 7 DT EPSILN:  (7 DT C4')-(7 DT C3')-(7 DT O3')-(8 DT P) 165.0 225.0
 &rst     iat =   238,   257,   262,   263,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 8 DT EPSILN:  (8 DT C4')-(8 DT C3')-(8 DT O3')-(9 DC P) 165.0 225.0
 &rst     iat =   270,   289,   294,   295,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 9 DC EPSILN:  (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DA3 P) 165.0 225.0
 &rst     iat =   302,   319,   324,   325,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 12 DG EPSILN:  (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DA P) 165.0 225.0
 &rst     iat =   395,   415,   420,   421,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 13 DA EPSILN:  (13 DA C4')-(13 DA C3')-(13 DA O3')-(14 DA P) 165.0 225.0
 &rst     iat =   428,   447,   452,   453,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 14 DA EPSILN:  (14 DA C4')-(14 DA C3')-(14 DA O3')-(15 DC P) 165.0 225.0
 &rst     iat =   460,   479,   484,   485,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 15 DC EPSILN:  (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 165.0 225.0
 &rst     iat =   492,   509,   514,   515,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 17 DT EPSILN:  (17 DT C4')-(17 DT C3')-(17 DT O3')-(18 DT P) 165.0 225.0
 &rst     iat =   552,   571,   576,   577,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 18 DT EPSILN:  (18 DT C4')-(18 DT C3')-(18 DT O3')-(19 DA P) 165.0 225.0
 &rst     iat =   584,   603,   608,   609,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 19 DA EPSILN:  (19 DA C4')-(19 DA C3')-(19 DA O3')-(20 DG3 P) 165.0 225.0
 &rst     iat =   616,   635,   640,   641,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 2 DT ZETA:  (2 DT C3')-(2 DT O3')-(3 DA P)-(3 DA O5') -135.0 -75.0
 &rst     iat =    55,    60,    61,    64,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 3 DA ZETA:  (3 DA C3')-(3 DA O3')-(4 DA P)-(4 DA O5') -135.0 -75.0
 &rst     iat =    87,    92,    93,    96,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 4 DA ZETA:  (4 DA C3')-(4 DA O3')-(5 FAG P)-(5 FAG O5') -135.0 -75.0
 &rst     iat =   119,   124,   125,   128,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 6 7dG ZETA:  (6 7dG C3')-(6 7dG O3')-(7 DT P)-(7 DT O5') -135.0 -75.0
 &rst     iat =   225,   230,   231,   234,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 7 DT ZETA:  (7 DT C3')-(7 DT O3')-(8 DT P)-(8 DT O5') -135.0 -75.0
 &rst     iat =   257,   262,   263,   266,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 8 DT ZETA:  (8 DT C3')-(8 DT O3')-(9 DC P)-(9 DC O5') -135.0 -75.0
 &rst     iat =   289,   294,   295,   298,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 9 DC ZETA:  (9 DC C3')-(9 DC O3')-(10 DA3 P)-(10 DA3 O5') -135.0 -75.0
 &rst     iat =   319,   324,   325,   328,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 12 DG ZETA:  (12 DG C3')-(12 DG O3')-(13 DA P)-(13 DA O5') -135.0 -75.0
 &rst     iat =   415,   420,   421,   424,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 13 DA ZETA:  (13 DA C3')-(13 DA O3')-(14 DA P)-(14 DA O5') -135.0 -75.0
 &rst     iat =   447,   452,   453,   456,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 14 DA ZETA:  (14 DA C3')-(14 DA O3')-(15 DC P)-(15 DC O5') -135.0 -75.0
 &rst     iat =   479,   484,   485,   488,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 15 DC ZETA:  (15 DC C3')-(15 DC O3')-(16 DC P)-(16 DC O5') -135.0 -75.0
 &rst     iat =   509,   514,   515,   518,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 17 DT ZETA:  (17 DT C3')-(17 DT O3')-(18 DT P)-(18 DT O5') -135.0 -75.0
 &rst     iat =   571,   576,   577,   580,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 18 DT ZETA:  (18 DT C3')-(18 DT O3')-(19 DA P)-(19 DA O5') -135.0 -75.0
 &rst     iat =   603,   608,   609,   612,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 19 DA ZETA:  (19 DA C3')-(19 DA O3')-(20 DG3 P)-(20 DG3 O5') -135.0 -75.0
 &rst     iat =   635,   640,   641,   644,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 674 atoms read from pdb file AGdG_amber.pdb.
# 2 DT NU0:  (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -52.1 -22.1
 &rst     iat =    36,    38,    39,    57,
   r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1,
   rk2 =   2.0, rk3 =   2.0,    &end

# 2 DT NU1:  (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3')  15.0  45.0
 &rst     iat =    38,    39,    57,    55,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
 &end

# 2 DT NU2:  (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -27.4   2.6
 &rst     iat =    39,    57,    55,    36,
   r1 = -28.4, r2 = -27.4, r3 =   2.6, r4 =   3.6,
 &end

# 2 DT NU3:  (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4') -25.0   5.0
 &rst     iat =    57,    55,    36,    38,
   r1 = -26.0, r2 = -25.0, r3 =   5.0, r4 =   6.0,
 &end

# 2 DT NU4:  (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1')  13.5  43.5
 &rst     iat =    55,    36,    38,    39,
   r1 =  12.5, r2 =  13.5, r3 =  43.5, r4 =  44.5,
 &end

# 3 DA NU0:  (3 DA C4')-(3 DA O4')-(3 DA C1')-(3 DA C2') -43.9 -13.9
 &rst     iat =    68,    70,    71,    89,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
 &end

# 3 DA NU1:  (3 DA O4')-(3 DA C1')-(3 DA C2')-(3 DA C3')  22.2  52.2
 &rst     iat =    70,    71,    89,    87,
   r1 =  21.2, r2 =  22.2, r3 =  52.2, r4 =  53.2,
 &end

# 3 DA NU2:  (3 DA C1')-(3 DA C2')-(3 DA C3')-(3 DA C4') -44.6 -14.6
 &rst     iat =    71,    89,    87,    68,
   r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
 &end

# 3 DA NU3:  (3 DA C2')-(3 DA C3')-(3 DA C4')-(3 DA O4')  -3.2  26.8
 &rst     iat =    89,    87,    68,    70,
   r1 =  -4.2, r2 =  -3.2, r3 =  26.8, r4 =  27.8,
 &end

# 3 DA NU4:  (3 DA C3')-(3 DA C4')-(3 DA O4')-(3 DA C1')  -4.4  25.6
 &rst     iat =    87,    68,    70,    71,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end

# 4 DA NU0:  (4 DA C4')-(4 DA O4')-(4 DA C1')-(4 DA C2') -43.9 -13.9
 &rst     iat =   100,   102,   103,   121,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
 &end

# 4 DA NU1:  (4 DA O4')-(4 DA C1')-(4 DA C2')-(4 DA C3')  22.2  52.2
 &rst     iat =   102,   103,   121,   119,
   r1 =  21.2, r2 =  22.2, r3 =  52.2, r4 =  53.2,
 &end

# 4 DA NU2:  (4 DA C1')-(4 DA C2')-(4 DA C3')-(4 DA C4') -44.6 -14.6
 &rst     iat =   103,   121,   119,   100,
   r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
 &end

# 4 DA NU3:  (4 DA C2')-(4 DA C3')-(4 DA C4')-(4 DA O4')  -3.2  26.8
 &rst     iat =   121,   119,   100,   102,
   r1 =  -4.2, r2 =  -3.2, r3 =  26.8, r4 =  27.8,
 &end

# 4 DA NU4:  (4 DA C3')-(4 DA C4')-(4 DA O4')-(4 DA C1')  -4.4  25.6
 &rst     iat =   119,   100,   102,   103,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end

# 6 7dG NU0:  (6 7dG C4')-(6 7dG O4')-(6 7dG C1')-(6 7dG C2') -52.1 -22.1
 &rst     iat =   204,   206,   207,   227,
   r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1,
 &end

# 6 7dG NU1:  (6 7dG O4')-(6 7dG C1')-(6 7dG C2')-(6 7dG C3')  15.0  45.0
 &rst     iat =   206,   207,   227,   225,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
 &end

# 6 7dG NU2:  (6 7dG C1')-(6 7dG C2')-(6 7dG C3')-(6 7dG C4') -27.4   2.6
 &rst     iat =   207,   227,   225,   204,
   r1 = -28.4, r2 = -27.4, r3 =   2.6, r4 =   3.6,
 &end

# 6 7dG NU3:  (6 7dG C2')-(6 7dG C3')-(6 7dG C4')-(6 7dG O4') -25.0   5.0
 &rst     iat =   227,   225,   204,   206,
   r1 = -26.0, r2 = -25.0, r3 =   5.0, r4 =   6.0,
 &end

# 6 7dG NU4:  (6 7dG C3')-(6 7dG C4')-(6 7dG O4')-(6 7dG C1')  13.5  43.5
 &rst     iat =   225,   204,   206,   207,
   r1 =  12.5, r2 =  13.5, r3 =  43.5, r4 =  44.5,
 &end

# 7 DT NU0:  (7 DT C4')-(7 DT O4')-(7 DT C1')-(7 DT C2') -52.1 -22.1
 &rst     iat =   238,   240,   241,   259,
   r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1,
 &end

# 7 DT NU1:  (7 DT O4')-(7 DT C1')-(7 DT C2')-(7 DT C3')  15.0  45.0
 &rst     iat =   240,   241,   259,   257,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
 &end

# 7 DT NU2:  (7 DT C1')-(7 DT C2')-(7 DT C3')-(7 DT C4') -27.4   2.6
 &rst     iat =   241,   259,   257,   238,
   r1 = -28.4, r2 = -27.4, r3 =   2.6, r4 =   3.6,
 &end

# 7 DT NU3:  (7 DT C2')-(7 DT C3')-(7 DT C4')-(7 DT O4') -25.0   5.0
 &rst     iat =   259,   257,   238,   240,
   r1 = -26.0, r2 = -25.0, r3 =   5.0, r4 =   6.0,
 &end

# 7 DT NU4:  (7 DT C3')-(7 DT C4')-(7 DT O4')-(7 DT C1')  13.5  43.5
 &rst     iat =   257,   238,   240,   241,
   r1 =  12.5, r2 =  13.5, r3 =  43.5, r4 =  44.5,
 &end

# 8 DT NU0:  (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -52.1 -22.1
 &rst     iat =   270,   272,   273,   291,
   r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1,
 &end

# 8 DT NU1:  (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3')  15.0  45.0
 &rst     iat =   272,   273,   291,   289,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
 &end

# 8 DT NU2:  (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -27.4   2.6
 &rst     iat =   273,   291,   289,   270,
   r1 = -28.4, r2 = -27.4, r3 =   2.6, r4 =   3.6,
 &end

# 8 DT NU3:  (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4') -25.0   5.0
 &rst     iat =   291,   289,   270,   272,
   r1 = -26.0, r2 = -25.0, r3 =   5.0, r4 =   6.0,
 &end

# 8 DT NU4:  (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1')  13.5  43.5
 &rst     iat =   289,   270,   272,   273,
   r1 =  12.5, r2 =  13.5, r3 =  43.5, r4 =  44.5,
 &end

# 9 DC NU0:  (9 DC C4')-(9 DC O4')-(9 DC C1')-(9 DC C2') -44.7 -14.7
 &rst     iat =   302,   304,   305,   321,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 9 DC NU1:  (9 DC O4')-(9 DC C1')-(9 DC C2')-(9 DC C3')  18.1  48.1
 &rst     iat =   304,   305,   321,   319,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 9 DC NU2:  (9 DC C1')-(9 DC C2')-(9 DC C3')-(9 DC C4') -37.2  -6.7
 &rst     iat =   305,   321,   319,   302,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 9 DC NU3:  (9 DC C2')-(9 DC C3')-(9 DC C4')-(9 DC O4') -16.9  24.2
 &rst     iat =   321,   319,   302,   304,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 9 DC NU4:  (9 DC C3')-(9 DC C4')-(9 DC O4')-(9 DC C1')  -1.9  34.0
 &rst     iat =   319,   302,   304,   305,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 12 DG NU0:  (12 DG C4')-(12 DG O4')-(12 DG C1')-(12 DG C2') -44.7 -14.7
 &rst     iat =   395,   397,   398,   417,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 12 DG NU1:  (12 DG O4')-(12 DG C1')-(12 DG C2')-(12 DG C3')  18.1  48.1
 &rst     iat =   397,   398,   417,   415,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 12 DG NU2:  (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -37.2  -6.7
 &rst     iat =   398,   417,   415,   395,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 12 DG NU3:  (12 DG C2')-(12 DG C3')-(12 DG C4')-(12 DG O4') -16.9  24.2
 &rst     iat =   417,   415,   395,   397,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 12 DG NU4:  (12 DG C3')-(12 DG C4')-(12 DG O4')-(12 DG C1')  -1.9  34.0
 &rst     iat =   415,   395,   397,   398,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 13 DA NU0:  (13 DA C4')-(13 DA O4')-(13 DA C1')-(13 DA C2') -43.9 -13.9
 &rst     iat =   428,   430,   431,   449,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
 &end

# 13 DA NU1:  (13 DA O4')-(13 DA C1')-(13 DA C2')-(13 DA C3')  22.2  52.2
 &rst     iat =   430,   431,   449,   447,
   r1 =  21.2, r2 =  22.2, r3 =  52.2, r4 =  53.2,
 &end

# 13 DA NU2:  (13 DA C1')-(13 DA C2')-(13 DA C3')-(13 DA C4') -44.6 -14.6
 &rst     iat =   431,   449,   447,   428,
   r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
 &end

# 13 DA NU3:  (13 DA C2')-(13 DA C3')-(13 DA C4')-(13 DA O4')  -3.2  26.8
 &rst     iat =   449,   447,   428,   430,
   r1 =  -4.2, r2 =  -3.2, r3 =  26.8, r4 =  27.8,
 &end

# 13 DA NU4:  (13 DA C3')-(13 DA C4')-(13 DA O4')-(13 DA C1')  -4.4  25.6
 &rst     iat =   447,   428,   430,   431,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end

# 14 DA NU0:  (14 DA C4')-(14 DA O4')-(14 DA C1')-(14 DA C2') -43.9 -13.9
 &rst     iat =   460,   462,   463,   481,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
 &end

# 14 DA NU1:  (14 DA O4')-(14 DA C1')-(14 DA C2')-(14 DA C3')  22.2  52.2
 &rst     iat =   462,   463,   481,   479,
   r1 =  21.2, r2 =  22.2, r3 =  52.2, r4 =  53.2,
 &end

# 14 DA NU2:  (14 DA C1')-(14 DA C2')-(14 DA C3')-(14 DA C4') -44.6 -14.6
 &rst     iat =   463,   481,   479,   460,
   r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
 &end

# 14 DA NU3:  (14 DA C2')-(14 DA C3')-(14 DA C4')-(14 DA O4')  -3.2  26.8
 &rst     iat =   481,   479,   460,   462,
   r1 =  -4.2, r2 =  -3.2, r3 =  26.8, r4 =  27.8,
 &end

# 14 DA NU4:  (14 DA C3')-(14 DA C4')-(14 DA O4')-(14 DA C1')  -4.4  25.6
 &rst     iat =   479,   460,   462,   463,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end

# 15 DC NU0:  (15 DC C4')-(15 DC O4')-(15 DC C1')-(15 DC C2') -43.9 -13.9
 &rst     iat =   492,   494,   495,   511,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
 &end

# 15 DC NU1:  (15 DC O4')-(15 DC C1')-(15 DC C2')-(15 DC C3')  22.2  52.2
 &rst     iat =   494,   495,   511,   509,
   r1 =  21.2, r2 =  22.2, r3 =  52.2, r4 =  53.2,
 &end

# 15 DC NU2:  (15 DC C1')-(15 DC C2')-(15 DC C3')-(15 DC C4') -44.6 -14.6
 &rst     iat =   495,   511,   509,   492,
   r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
 &end

# 15 DC NU3:  (15 DC C2')-(15 DC C3')-(15 DC C4')-(15 DC O4')  -3.2  26.8
 &rst     iat =   511,   509,   492,   494,
   r1 =  -4.2, r2 =  -3.2, r3 =  26.8, r4 =  27.8,
 &end

# 15 DC NU4:  (15 DC C3')-(15 DC C4')-(15 DC O4')-(15 DC C1')  -4.4  25.6
 &rst     iat =   509,   492,   494,   495,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end

# 17 DT NU0:  (17 DT C4')-(17 DT O4')-(17 DT C1')-(17 DT C2') -52.1 -22.1
 &rst     iat =   552,   554,   555,   573,
   r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1,
 &end

# 17 DT NU1:  (17 DT O4')-(17 DT C1')-(17 DT C2')-(17 DT C3')  15.0  45.0
 &rst     iat =   554,   555,   573,   571,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
 &end

# 17 DT NU2:  (17 DT C1')-(17 DT C2')-(17 DT C3')-(17 DT C4') -27.4   2.6
 &rst     iat =   555,   573,   571,   552,
   r1 = -28.4, r2 = -27.4, r3 =   2.6, r4 =   3.6,
 &end

# 17 DT NU3:  (17 DT C2')-(17 DT C3')-(17 DT C4')-(17 DT O4') -25.0   5.0
 &rst     iat =   573,   571,   552,   554,
   r1 = -26.0, r2 = -25.0, r3 =   5.0, r4 =   6.0,
 &end

# 17 DT NU4:  (17 DT C3')-(17 DT C4')-(17 DT O4')-(17 DT C1')  13.5  43.5
 &rst     iat =   571,   552,   554,   555,
   r1 =  12.5, r2 =  13.5, r3 =  43.5, r4 =  44.5,
 &end

# 18 DT NU0:  (18 DT C4')-(18 DT O4')-(18 DT C1')-(18 DT C2') -52.1 -22.1
 &rst     iat =   584,   586,   587,   605,
   r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1,
 &end

# 18 DT NU1:  (18 DT O4')-(18 DT C1')-(18 DT C2')-(18 DT C3')  15.0  45.0
 &rst     iat =   586,   587,   605,   603,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
 &end

# 18 DT NU2:  (18 DT C1')-(18 DT C2')-(18 DT C3')-(18 DT C4') -27.4   2.6
 &rst     iat =   587,   605,   603,   584,
   r1 = -28.4, r2 = -27.4, r3 =   2.6, r4 =   3.6,
 &end

# 18 DT NU3:  (18 DT C2')-(18 DT C3')-(18 DT C4')-(18 DT O4') -25.0   5.0
 &rst     iat =   605,   603,   584,   586,
   r1 = -26.0, r2 = -25.0, r3 =   5.0, r4 =   6.0,
 &end

# 18 DT NU4:  (18 DT C3')-(18 DT C4')-(18 DT O4')-(18 DT C1')  13.5  43.5
 &rst     iat =   603,   584,   586,   587,
   r1 =  12.5, r2 =  13.5, r3 =  43.5, r4 =  44.5,
 &end

# 19 DA NU0:  (19 DA C4')-(19 DA O4')-(19 DA C1')-(19 DA C2') -43.9 -13.9
 &rst     iat =   616,   618,   619,   637,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
 &end

# 19 DA NU1:  (19 DA O4')-(19 DA C1')-(19 DA C2')-(19 DA C3')  22.2  52.2
 &rst     iat =   618,   619,   637,   635,
   r1 =  21.2, r2 =  22.2, r3 =  52.2, r4 =  53.2,
 &end

# 19 DA NU2:  (19 DA C1')-(19 DA C2')-(19 DA C3')-(19 DA C4') -44.6 -14.6
 &rst     iat =   619,   637,   635,   616,
   r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
 &end

# 19 DA NU3:  (19 DA C2')-(19 DA C3')-(19 DA C4')-(19 DA O4')  -3.2  26.8
 &rst     iat =   637,   635,   616,   618,
   r1 =  -4.2, r2 =  -3.2, r3 =  26.8, r4 =  27.8,
 &end

# 19 DA NU4:  (19 DA C3')-(19 DA C4')-(19 DA O4')-(19 DA C1')  -4.4  25.6
 &rst     iat =   635,   616,   618,   619,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end


  Entry H atom name         Submitted Coord H atom name
    1    H5'   DC   1           H5'       DC   1   8.528  16.757  10.156
    2   H5''   DC   1          H5''       DC   1   8.833  17.250   8.482
    3    H4'   DC   1           H4'       DC   1   6.137  17.966   9.731
    4    H3'   DC   1           H3'       DC   1   7.090  15.146   9.543
    5    H2'   DC   1           H2'       DC   1   6.980  15.009   7.288
    6   H2''   DC   1          H2''       DC   1   5.226  14.729   7.690
    7    H1'   DC   1           H1'       DC   1   4.667  16.978   7.276
    8    H41   DC   1           H41       DC   1   7.001  16.828   1.074
    9    H42   DC   1           H42       DC   1   5.285  17.144   1.071
   10    H5    DC   1           H5        DC   1   8.266  16.371   3.211
   11    H6    DC   1           H6        DC   1   7.978  16.339   5.665
   12   HO5'   DC   1          H5T        DC   1   8.600  19.303   9.046
   13    H5'   DT   2           H5'       DT   2   2.503  16.117   8.876
   14   H5''   DT   2          H5''       DT   2   1.653  15.091  10.042
   15    H4'   DT   2           H4'       DT   2   0.395  15.300   8.202
   16    H3'   DT   2           H3'       DT   2   1.087  12.859   9.175
   17    H2'   DT   2           H2'       DT   2   2.507  12.297   7.395
   18   H2''   DT   2          H2''       DT   2   1.039  11.545   6.730
   19    H1'   DT   2           H1'       DT   2   0.383  13.606   5.621
   20    H3    DT   2           H3        DT   2   2.450  14.012   1.521
   21    H71   DT   2           H71       DT   2   6.261  12.085   3.967
   22    H72   DT   2           H72       DT   2   6.277  13.231   5.323
   23    H73   DT   2           H73       DT   2   6.600  13.832   3.689
   24    H6    DT   2           H6        DT   2   3.937  13.064   5.991
   25    H5'   DA   3           H5'       DA   3  -3.030  13.546   6.754
   26   H5''   DA   3          H5''       DA   3  -4.187  12.375   7.397
   27    H4'   DA   3           H4'       DA   3  -4.702  12.951   5.102
   28    H3'   DA   3           H3'       DA   3  -4.847  10.430   6.325
   29    H2'   DA   3           H2'       DA   3  -2.801   9.601   5.497
   30   H2''   DA   3          H2''       DA   3  -3.866   9.040   4.246
   31    H1'   DA   3           H1'       DA   3  -3.305  10.879   2.807
   32    H8    DA   3           H8        DA   3  -0.648   9.856   5.523
   33    H61   DA   3           2H6       DA   3   3.213   9.818   2.463
   34    H62   DA   3           1H6       DA   3   3.396  10.407   0.808
   35    H2    DA   3           H2        DA   3  -0.351  11.990  -0.579
   36    H5'   DA   4          H5''       DA   4  -5.434  10.147   1.458
   37   H5''   DA   4          H5'        DA   4  -7.170  10.054   1.524
   38    H4'   DA   4           H4'       DA   4  -6.683   8.942  -0.398
   39    H3'   DA   4           H3'       DA   4  -7.508   7.134   1.502
   40    H2'   DA   4           H2'       DA   4  -5.421   6.320   2.231
   41   H2''   DA   4          H2''       DA   4  -5.527   5.244   0.815
   42    H1'   DA   4           H1'       DA   4  -4.148   6.461  -0.439
   43    H8    DA   4           H8        DA   4  -3.545   6.753   3.171
   44    H61   DA   4           2H6       DA   4   1.439   6.717   2.620
   45    H62   DA   4           1H6       DA   4   2.384   6.935   1.234
   46    H2    DA   4           H2        DA   4  -0.090   7.865  -2.173
   47    H31  FAG   5           H3A      FAG   5   3.353   4.119  -2.171
   48    H32  FAG   5           H3B      FAG   5   2.793   2.527  -2.602
   49   H2A1  FAG   5          H2A       FAG   5   5.324   3.178  -1.705
   50   H2A2  FAG   5          H2B       FAG   5   4.631   1.538  -1.780
   51   H5'1  FAG   5          H5'       FAG   5  -7.405   4.667  -2.631
   52   H5'2  FAG   5          H5''      FAG   5  -9.043   4.069  -2.752
   53    H4'  FAG   5           H4'      FAG   5  -7.771   2.432  -3.657
   54    H1'  FAG   5           H1'      FAG   5  -5.741   0.548  -2.515
   55    HN9  FAG   5           HN9      FAG   5  -4.798   0.960   0.108
   56   HN21  FAG   5          1HN2      FAG   5  -1.738   0.333  -4.561
   57   HN22  FAG   5          2HN2      FAG   5  -0.130   0.268  -3.829
   58    H1   FAG   5           1H       FAG   5   0.203  -0.053  -1.761
   59    H8   FAG   5           H8       FAG   5  -2.377  -1.747   1.589
   60   H2'1  FAG   5          H2'       FAG   5  -7.019   1.595   0.014
   61   H2'2  FAG   5          H2''      FAG   5  -7.094  -0.070  -0.555
   62    H3'  FAG   5           H3'      FAG   5  -9.056   1.697  -1.271
   63    H8A  FAG   5           H8A      FAG   5  -3.851   0.916   3.029
   64    H9   FAG   5           H9       FAG   5  -1.132   1.465   2.860
   65    HO9  FAG   5           HO9      FAG   5  -2.248   1.633   4.785
   66    H9A  FAG   5           H9A      FAG   5  -1.546   4.186   2.863
   67    H6A  FAG   5           H6A      FAG   5  -3.676   4.541   2.011
   68    H5B  FAG   5           H5       FAG   5  -1.986   4.091  -2.112
   69    HM1  FAG   5           HA1      FAG   5  -1.050   4.807  -4.023
   70    HM2  FAG   5           HA2      FAG   5   0.575   4.842  -4.746
   71    HM3  FAG   5           HA3      FAG   5   0.230   5.896  -3.369
   72   HN21  7GU   6          1HN2      7GU   6  -0.118  -3.285  -5.508
   73   HN22  7GU   6          2HN2      7GU   6   0.827  -3.465  -4.006
   74    HN1  7GU   6           1H       7GU   6  -0.057  -3.609  -2.122
   75    H7   7GU   6           H7       7GU   6  -4.842  -2.763  -0.814
   76    H8   7GU   6           H8       7GU   6  -6.462  -2.643  -2.949
   77    H2'  7GU   6           H2'      7GU   6  -6.453  -3.735  -5.238
   78   H2''  7GU   6          H2''      7GU   6  -5.210  -4.053  -6.438
   79    H5'  7GU   6           H5'      7GU   6  -7.967  -1.833  -4.666
   80   H5''  7GU   6          H5''      7GU   6  -8.967  -1.661  -6.118
   81    H4'  7GU   6           H4'      7GU   6  -6.899  -0.428  -7.103
   82    H1'  7GU   6           H1'      7GU   6  -4.084  -1.971  -6.004
   83    H3'  7GU   6           H3'      7GU   6  -7.558  -3.049  -7.245
   84    H5'   DT   7           H5'       DT   7  -2.988  -2.815  -8.534
   85   H5''   DT   7          H5''       DT   7  -2.974  -3.492 -10.161
   86    H4'   DT   7           H4'       DT   7  -0.952  -4.203  -9.044
   87    H3'   DT   7           H3'       DT   7  -2.790  -6.131  -9.971
   88    H2'   DT   7           H2'       DT   7  -3.481  -6.947  -7.820
   89   H2''   DT   7          H2''       DT   7  -1.940  -7.895  -7.975
   90    H1'   DT   7           H1'       DT   7  -0.622  -6.306  -6.877
   91    H3    DT   7           H3        DT   7  -1.131  -6.706  -2.396
   92    H71   DT   7           H71       DT   7  -6.080  -6.236  -4.466
   93    H72   DT   7           H72       DT   7  -5.556  -5.220  -3.033
   94    H73   DT   7           H73       DT   7  -5.832  -7.003  -2.919
   95    H6    DT   7           H6        DT   7  -4.230  -5.858  -5.946
   96    H5'   DT   8           H5'       DT   8   1.758  -7.429  -8.381
   97   H5''   DT   8          H5''       DT   8   2.279  -8.649  -9.553
   98    H4'   DT   8           H4'       DT   8   3.042  -9.264  -7.330
   99    H3'   DT   8           H3'       DT   8   1.362 -11.016  -8.945
  100    H2'   DT   8           H2'       DT   8  -0.236 -11.432  -7.384
  101   H2''   DT   8          H2''       DT   8   0.983 -12.497  -6.613
  102    H1'   DT   8           H1'       DT   8   1.714 -10.802  -5.112
  103    H3    DT   8           H3        DT   8  -1.194 -10.354  -1.801
  104    H71   DT   8           H71       DT   8  -4.446 -10.531  -5.424
  105    H72   DT   8           H72       DT   8  -3.779  -9.153  -6.391
  106    H73   DT   8           H73       DT   8  -4.578  -8.878  -4.852
  107    H6    DT   8           H6        DT   8  -1.566  -9.778  -6.580
  108    H5'   DC   9           H5'       DC   9   4.463 -12.487  -5.390
  109   H5''   DC   9          H5''       DC   9   5.431 -13.794  -6.016
  110    H4'   DC   9           H4'       DC   9   5.173 -14.163  -3.764
  111    H3'   DC   9           H3'       DC   9   4.383 -16.228  -5.395
  112    H2'   DC   9           H2'       DC   9   2.125 -15.580  -5.260
  113   H2''   DC   9          H2''       DC   9   2.289 -16.880  -3.990
  114    H1'   DC   9           H1'       DC   9   2.701 -15.178  -2.246
  115    H41   DC   9           H41       DC   9  -3.281 -12.708  -3.529
  116    H42   DC   9           H42       DC   9  -3.312 -13.196  -1.829
  117    H5    DC   9           H5        DC   9  -1.536 -13.126  -5.026
  118    H6    DC   9           H6        DC   9   0.777 -14.057  -5.209
  119    H5'   DA  10           H5'       DA  10   5.866 -20.096  -1.788
  120   H5''   DA  10          H5''       DA  10   4.599 -19.263  -2.843
  121    H4'   DA  10           H4'       DA  10   4.643 -18.743   0.105
  122    H3'   DA  10           H3'       DA  10   3.916 -21.262  -1.258
  123   HO3'   DA  10          H3T        DA  10   3.795 -21.902   0.940
  124    H2'   DA  10           H2'       DA  10   1.719 -20.655  -1.459
  125   H2''   DA  10          H2''       DA  10   1.551 -20.797   0.325
  126    H1'   DA  10           H1'       DA  10   1.953 -18.513   0.622
  127    H8    DA  10           H8        DA  10   1.035 -18.829  -3.119
  128    H61   DA  10           2H6       DA  10  -3.398 -16.209  -2.665
  129    H62   DA  10           1H6       DA  10  -4.249 -16.029  -1.144
  130    H2    DA  10           H2        DA  10  -2.005 -17.197   2.265
  131    H5'   DT  11           H5'       DT  11 -11.109 -16.626   6.552
  132   H5''   DT  11          H5''       DT  11 -10.743 -16.300   4.778
  133    H4'   DT  11           H4'       DT  11  -8.949 -17.711   6.855
  134    H3'   DT  11           H3'       DT  11  -9.588 -15.100   7.120
  135    H2'   DT  11           H2'       DT  11  -8.975 -14.584   4.965
  136   H2''   DT  11          H2''       DT  11  -7.496 -14.015   5.809
  137    H1'   DT  11           H1'       DT  11  -6.463 -16.197   5.554
  138    H3    DT  11           H3        DT  11  -4.397 -16.265   1.386
  139    H71   DT  11           H71       DT  11  -9.542 -14.705   0.910
  140    H72   DT  11           H72       DT  11  -8.713 -15.827  -0.262
  141    H73   DT  11           H73       DT  11  -8.340 -14.086  -0.335
  142    H6    DT  11           H6        DT  11  -8.885 -15.328   2.890
  143   HO5'   DT  11          H5T        DT  11 -11.703 -18.280   4.653
  144    H5'   DG  12           H5'       DG  12  -5.044 -15.855   7.626
  145   H5''   DG  12          H5''       DG  12  -4.682 -15.302   9.274
  146    H4'   DG  12           H4'       DG  12  -2.762 -15.025   7.915
  147    H3'   DG  12           H3'       DG  12  -3.884 -12.692   9.068
  148    H2'   DG  12           H2'       DG  12  -4.561 -11.902   6.909
  149   H2''   DG  12          H2''       DG  12  -2.921 -11.213   6.929
  150    H1'   DG  12           H1'       DG  12  -2.038 -13.090   5.804
  151    H8    DG  12           H8        DG  12  -5.588 -12.066   4.753
  152    H1    DG  12           1H        DG  12  -1.524 -13.713   0.065
  153    H21   DG  12           H21       DG  12   0.491 -14.503   2.688
  154    H22   DG  12           H22       DG  12   0.276 -14.445   0.961
  155    H5'   DA  13           H5'       DA  13   0.020 -13.222   7.091
  156   H5''   DA  13          H5''       DA  13   1.220 -12.944   8.363
  157    H4'   DA  13           H4'       DA  13   2.477 -12.832   6.443
  158    H3'   DA  13           H3'       DA  13   2.383 -10.402   7.829
  159    H2'   DA  13           H2'       DA  13   0.840  -9.431   6.486
  160   H2''   DA  13          H2''       DA  13   2.223  -8.930   5.467
  161    H1'   DA  13           H1'       DA  13   2.075 -10.902   3.994
  162    H8    DA  13           H8        DA  13  -1.177  -9.233   5.347
  163    H61   DA  13           2H6       DA  13  -3.541  -9.058   0.803
  164    H62   DA  13           1H6       DA  13  -2.805  -9.534  -0.707
  165    H2    DA  13           H2        DA  13   0.832 -11.634  -0.278
  166    H5'   DA  14           H5'       DA  14   5.149 -11.278   4.009
  167   H5''   DA  14          H5''       DA  14   6.712 -10.522   4.321
  168    H4'   DA  14           H4'       DA  14   6.235 -10.622   1.917
  169    H3'   DA  14           H3'       DA  14   7.168  -8.320   3.275
  170    H2'   DA  14           H2'       DA  14   5.082  -7.050   2.917
  171   H2''   DA  14          H2''       DA  14   5.787  -6.750   1.289
  172    H1'   DA  14           H1'       DA  14   4.851  -8.516   0.355
  173    H8    DA  14           H8        DA  14   2.907  -7.756   3.641
  174    H61   DA  14           2H6       DA  14  -1.496  -6.630   1.470
  175    H62   DA  14           1H6       DA  14  -1.966  -6.789  -0.217
  176    H2    DA  14           H2        DA  14   1.465  -7.703  -2.610
  177    H5'   DC  15          H5''       DC  15   7.260  -8.359  -1.461
  178   H5''   DC  15          H5'        DC  15   8.712  -7.495  -1.908
  179    H4'   DC  15           H4'       DC  15   6.946  -6.925  -3.510
  180    H3'   DC  15           H3'       DC  15   8.001  -4.724  -1.836
  181    H2'   DC  15           H2'       DC  15   6.186  -3.500  -1.825
  182   H2''   DC  15          H2''       DC  15   5.899  -3.710  -3.643
  183    H1'   DC  15           H1'       DC  15   4.589  -5.372  -3.532
  184    H41   DC  15           H41       DC  15   0.961  -4.052   1.903
  185    H42   DC  15           H42       DC  15  -0.063  -3.903   0.481
  186    H5    DC  15           H5        DC  15   3.302  -4.617   1.700
  187    H6    DC  15           H6        DC  15   5.101  -5.004   0.116
  188    H5'   DC  16           H5'       DC  16   8.249  -0.806  -5.602
  189   H5''   DC  16          H5''       DC  16   7.315  -1.040  -4.124
  190    H4'   DC  16           H4'       DC  16   6.188  -1.321  -6.912
  191    H3'   DC  16           H3'       DC  16   6.981   1.045  -5.924
  192    H2'   DC  16           H2'       DC  16   6.086   0.744  -3.818
  193   H2''   DC  16          H2''       DC  16   4.852   1.845  -4.578
  194    H1'   DC  16           H1'       DC  16   3.452   0.000  -5.173
  195    H41   DC  16           H41       DC  16   3.076  -1.080   1.362
  196    H42   DC  16           H42       DC  16   1.501  -0.875   0.702
  197    H5    DC  16           H5        DC  16   5.103  -1.343  -0.165
  198    H6    DC  16           H6        DC  16   5.722  -1.154  -2.639
  199    H5'   DT  17          H5''       DT  17   6.380   4.427  -7.540
  200   H5''   DT  17          H5'        DT  17   5.316   3.767  -6.352
  201    H4'   DT  17           H4'       DT  17   3.622   5.189  -8.131
  202    H3'   DT  17           H3'       DT  17   5.932   6.621  -8.286
  203    H2'   DT  17           H2'       DT  17   6.218   6.910  -5.862
  204   H2''   DT  17          H2''       DT  17   5.298   8.387  -6.230
  205    H1'   DT  17           H1'       DT  17   3.115   7.336  -5.812
  206    H3    DT  17           H3        DT  17   2.136   7.172  -1.607
  207    H71   DT  17           H71       DT  17   6.590   5.096  -0.830
  208    H72   DT  17           H72       DT  17   7.446   5.933  -2.084
  209    H73   DT  17           H73       DT  17   6.956   6.792  -0.622
  210    H6    DT  17           H6        DT  17   6.082   5.919  -3.985
  211    H5'   DT  18           H5'       DT  18   1.643   9.035  -8.333
  212   H5''   DT  18          H5''       DT  18   1.864  10.177  -9.621
  213    H4'   DT  18           H4'       DT  18   0.309  10.963  -7.883
  214    H3'   DT  18           H3'       DT  18   2.369  12.731  -8.621
  215    H2'   DT  18           H2'       DT  18   3.597  12.263  -6.683
  216   H2''   DT  18          H2''       DT  18   2.594  13.680  -6.154
  217    H1'   DT  18           H1'       DT  18   0.812  12.240  -5.319
  218    H3    DT  18           H3        DT  18   2.273  11.548  -1.077
  219    H71   DT  18           H71       DT  18   5.968   8.869  -2.813
  220    H72   DT  18           H72       DT  18   6.449  10.558  -2.958
  221    H73   DT  18           H73       DT  18   6.212   9.629  -4.432
  222    H6    DT  18           H6        DT  18   4.042  10.407  -5.390
  223    H5'   DA  19           H5'       DA  19  -1.775  16.363  -8.132
  224   H5''   DA  19          H5''       DA  19  -0.431  15.886  -7.122
  225    H4'   DA  19           H4'       DA  19  -3.279  15.274  -6.474
  226    H3'   DA  19           H3'       DA  19  -2.637  17.824  -6.739
  227    H2'   DA  19           H2'       DA  19  -0.541  17.672  -5.521
  228   H2''   DA  19          H2''       DA  19  -1.696  18.357  -4.255
  229    H1'   DA  19           H1'       DA  19  -1.930  16.296  -3.270
  230    H8    DA  19           H8        DA  19   1.358  16.384  -5.436
  231    H61   DA  19           2H6       DA  19   4.466  15.225  -1.761
  232    H62   DA  19           1H6       DA  19   4.165  14.664  -0.102
  233    H2    DA  19           H2        DA  19  -0.083  14.717   0.570
  234    H5'   DG  20           H5'       DG  20  -4.529  16.951  -2.367
  235   H5''   DG  20          H5''       DG  20  -5.777  18.241  -2.196
  236    H4'   DG  20           H4'       DG  20  -4.873  17.949  -0.084
  237    H3'   DG  20           H3'       DG  20  -4.544  20.508  -1.518
  238   HO3'   DG  20          H3T        DG  20  -4.853  21.286   0.671
  239    H2'   DG  20           H2'       DG  20  -2.254  20.730  -1.089
  240   H2''   DG  20          H2''       DG  20  -2.761  21.068   0.606
  241    H1'   DG  20           H1'       DG  20  -2.398  18.743   1.255
  242    H8    DG  20           H8        DG  20  -0.590  19.422  -2.123
  243    H1    DG  20           1H        DG  20   3.153  17.310   2.727
  244    H21   DG  20           H21       DG  20   0.209  17.107   4.475
  245    H22   DG  20           H22       DG  20   1.974  16.999   4.464