*HEADER    DNA                                     17-MAR-14   2MMR              
*TITLE     AGC FAPY MODIFIED DUPLEX MAJOR ISOMER                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*CP*TP*AP*AP*(FAG)P*CP*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*GP*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, AGC,      
*KEYWDS   3 MAJOR ISOMER, DNA                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    L.LI, M.STONE                                                         
*REVDAT   1   25-FEB-15 2MMR    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    H3   20 DG3 H1      3.100   3.510  
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 660, r1= 2.60, r2= 3.10, r3= 3.51, r4= 4.01,  &end
#
#   2 DT    Q5    1 DC5 H2'1    2.500   3.510
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  26, r1= 2.00, r2= 2.50, r3= 4.22, r4= 4.72,
 igr1=  46,  47,  48,
 &end
#
#   2 DT    Q5    1 DC5 H2'2    2.610   3.590
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 2.11, r2= 2.61, r3= 4.31, r4= 4.81,
 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   3.060
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.51, r2= 2.01, r3= 3.67, r4= 4.17,
 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, 599, 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, 599, 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, 631, 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, 599, 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, 599, 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, 599, 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, 567, 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, 567, 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, 567, 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, 567, 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   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   H3' 5 FAG H2'2    2.700   3.100
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 195, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &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  H8 5 FAG H8A    1.800   2.400       
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 155, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   5 FAG  H9A 5 FAG H8A    3.600   4.000      
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 155, r1= 3.10, r2= 3.60, r3= 4.00, r4= 4.50,  &end
#
#   5 FAG  H9A 5 FAG H8     5.200   6.800      
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 152, r1= 4.70, r2= 5.20, r3= 6.80, r4= 7.30,  &end
#
#   5 FAG  H9A 5 FAG H9     2.500   2.900      
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 159, r1= 2.00, r2= 2.50, r3= 2.90, r4= 3.40,  &end
#
#   5 FAG  H6A 5 FAG H8A    3.400   3.900      
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 155, r1= 2.90, r2= 3.40, r3= 3.90, r4= 4.40,  &end
#
#   5 FAG  H6A 5 FAG H9     3.800   4.200      
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 159, r1= 3.30, r2= 3.80, r3= 4.20, r4= 4.70,  &end
#
#   5 FAG  H6A 5 FAG H9A    2.300   2.600  
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 161, r1= 1.80, r2= 2.30, r3= 2.60, r4= 3.10,  &end
#
#   5 FAG  H6A 5 FAG H8     5.000   5.700    
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 152, r1= 4.50, r2= 5.00, r3= 5.70, r4= 6.20,  &end
#
#   5 FAG  H5 5 FAG H1'    4.680   5.530  
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 136, r1= 4.18, r2= 4.68, r3= 5.53, r4= 6.03,  &end
#
#   5 FAG   H8    5 FAG HN9     1.990   2.710 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 138, r1= 1.49, r2= 1.99, r3= 2.71, r4= 3.21,  &end
#
#   5 FAG   H2'1  5 FAG HN9     2.050   3.370 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 138, r1= 1.55, r2= 2.05, r3= 3.37, r4= 3.87,  &end
#
#   5 FAG   H2'2  5 FAG HN9     2.130   3.810
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 138, r1= 1.63, r2= 2.13, r3= 3.81, r4= 4.31,  &end
#
#   6 DC    H6    5 FAG H1'     2.180   3.240
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 136, r1= 1.68, r2= 2.18, r3= 3.24, r4= 3.74,  &end
#
#   6 DT   H6    5 FAG H2'2    2.900   3.690
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 195, r1= 2.40, r2= 2.90, r3= 3.69, r4= 4.19,  &end
#
#   6 DC    H6    5 FAG H3'     2.820   4.540
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 192, r1= 2.32, r2= 2.82, r3= 4.54, r4= 5.04,  &end
#
#   6 DC    H5    5 FAG H1'     1.980   2.900
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 136, r1= 1.48, r2= 1.98, r3= 2.90, r4= 3.40,  &end
#
#   6 DC    H5    5 FAG H2'1    2.830   3.920
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 194, r1= 2.33, r2= 2.83, r3= 3.92, r4= 4.42,  &end
#
#   6 DC    H5    5 FAG H2'2    2.570   3.610
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 195, r1= 2.07, r2= 2.57, r3= 3.61, r4= 4.11,  &end
#
#   6 DC    H5    5 FAG H3'     2.860   5.810
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 192, r1= 2.36, r2= 2.86, r3= 5.81, r4= 6.31,  &end
#
#   6 DC    H1'   6 DC  H2'1    1.930   3.730
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 224, r1= 1.43, r2= 1.93, r3= 3.73, r4= 4.23,  &end
#
#   6 DC    H1'   6 DC  H2'2    1.660   2.450
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 225, r1= 1.16, r2= 1.66, r3= 2.45, r4= 2.95,  &end
#
#   6 DC    H6    6 DC  H2'1    1.850   2.310
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 224, r1= 1.35, r2= 1.85, r3= 2.31, r4= 2.81,  &end
#
#   7 DT    Q5 6 DC  H2'1    2.840   3.850
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 2.34, r2= 2.84, r3= 4.62, r4= 5.12,
 igr1= 244, 245, 246,
 &end
#
#   7 DT    Q5 6 DC  H2'2    2.010   3.500
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 225, r1= 1.51, r2= 2.01, r3= 4.20, r4= 4.70,
 igr1= 244, 245, 246,
 &end
#
#   7 DT    Q5 6 DC  H3'     2.180   3.690
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.68, r2= 2.18, r3= 4.43, r4= 4.93,
 igr1= 244, 245, 246,
 &end
#
#   7 DT    Q5 6 DC  H1'     2.100   3.140
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.60, r2= 2.10, r3= 3.77, r4= 4.27,
 igr1= 244, 245, 246,
 &end
#
#   7 DT    Q5 6 DC  H6      2.460   3.640
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.96, r2= 2.46, r3= 4.37, r4= 4.87,
 igr1= 244, 245, 246,
 &end
#
#   7 DT    H6 6 DC  H2'1    3.320   3.870
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 224, r1= 2.82, r2= 3.32, r3= 3.87, r4= 4.37,  &end
#
#   7 DT    H6 6 DC  H2'2    1.900   2.400
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 225, r1= 1.40, r2= 1.90, r3= 2.40, r4= 2.90,  &end
#
#   7 DT    H6 6 DC  H1'     2.900   3.800
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 208, r1= 2.40, r2= 2.90, r3= 3.80, r4= 4.30,  &end
#
#   7 DT    H6 6 DC  H3'     4.600   5.000
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 222, r1= 4.10, r2= 4.60, r3= 5.00, r4= 5.50,  &end
#
#   7 DT    H2'1  7 DT  H3'     2.200   2.820
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 254, 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= 257, 254, 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= 238, 256, 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= 238, 257, 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= 241, 256, 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= 241, 257, 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= 273, 256, 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= 273, 257, 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= 273, 238, 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= 273, 241, 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, 254, r1= 1.88, r2= 2.38, r3= 5.42, r4= 5.92,
 igr1= 276, 277, 278,
 &end
#
#   8 DT    Q5 7 DT  H2'1    2.170   3.000         
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.67, r2= 2.17, r3= 3.60, r4= 4.10,
 igr1= 276, 277, 278,
 &end
#
#   8 DT    Q5 7 DT  H2'2    2.130   3.040         
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.63, r2= 2.13, r3= 3.65, r4= 4.15,
 igr1= 276, 277, 278,
 &end
#
#   8 DT    Q5 7 DT  H1'     2.910   4.410
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 2.41, r2= 2.91, r3= 5.30, r4= 5.80,
 igr1= 276, 277, 278,
 &end
#
#   8 DT    Q5 7 DT  H6      2.520   3.470  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 2.02, r2= 2.52, r3= 4.17, r4= 4.67,
 igr1= 276, 277, 278,
 &end
#
#   8 DT    H3'   7 DT  H1'     4.610   5.490
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 238, 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= 288, 286, 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= 289, 286, 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= 270, 286, 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= 270, 288, 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, 286, r1= 2.55, r2= 3.05, r3= 7.13, r4= 7.63,
 igr1= 276, 277, 278,
 &end
#
#   8 DT    Q5    8 DT  H1'     3.190   5.960
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 270, r1= 2.69, r2= 3.19, r3= 7.16, r4= 7.66,
 igr1= 276, 277, 278,
 &end
#
#   8 DT    H6    8 DT  H2'1    2.000   2.880
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 288, 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= 273, 289, 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= 273, 270, 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= 305, 288, 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= 305, 289, 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= 305, 270, 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= 305, 273, 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= 307, 286, 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= 307, 289, 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= 307, 270, 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= 307,  -1, r1= 2.31, r2= 2.81, r3= 4.68, r4= 5.18,
 igr2= 276, 277, 278,
 &end
#
#   9 DC    H5 8 DT  H6      3.590   4.080
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 273, 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= 302, 316, 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= 302, 318, 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= 302, 319, 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= 307, 318, 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= 307, 319, 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= 305, 318, 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= 305, 319, 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= 305, 302, 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= 335, 318, 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= 335, 319, 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= 335, 305, 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= 335, 302, 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= 350, 348, 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= 351, 348, 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= 332, 348, 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= 332, 350, 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= 332, 351, 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= 335, 348, 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= 335, 351, 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= 335, 332, 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= 363, 379, 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= 363, 381, 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= 363, 382, 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, 363, r1= 2.91, r2= 3.41, r3= 7.03, r4= 7.53,
 igr1= 369, 370, 371,
 &end
#
#  11 DT5   H6   11 DT5 H3'     3.820   4.280
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 379, 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= 366, 381, 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= 366, 382, 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= 366, 363, 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= 366,  -1, r1= 1.52, r2= 2.02, r3= 3.42, r4= 3.92,
 igr2= 369, 370, 371,
 &end
#
#  12 DG    H8   11 DT5 H3'     4.990   5.480
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 379, 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= 398, 381, 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= 398, 382, 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= 398, 363, 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= 398, 366, 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= 398, 395, 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= 431, 395, 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= 431, 398, 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= 431, 414, 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= 431, 415, 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= 428, 444, 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= 428, 446, 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= 428, 447, 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= 431, 428, 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= 431, 447, 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= 463, 428, 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= 463, 431, 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= 463, 446, 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= 463, 447, 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= 460, 478, 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= 460, 479, 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= 463, 478, 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= 463, 460, r1= 3.15, r2= 3.65, r3= 4.13, r4= 4.63,  &end
#
#  15 DA    H8   14 DA  H3'     4.680   5.130
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 476, r1= 4.18, r2= 4.68, r3= 5.13, r4= 5.63,  &end
#
#  15 DA    H8   14 DA  H2'1    3.790   4.300
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 478, r1= 3.29, r2= 3.79, r3= 4.30, r4= 4.80,  &end
#
#  15 DA    H8   14 DA  H1'     3.260   3.720
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 460, r1= 2.76, r2= 3.26, r3= 3.72, r4= 4.22,  &end
#
#  15 DA    H8   14 DA  H8      4.960   5.440 
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 463, r1= 4.46, r2= 4.96, r3= 5.44, r4= 5.94,  &end
#
#  15 DA    H2'1 15 DA  H3'     2.270   2.730
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 509, r1= 1.77, r2= 2.27, r3= 2.73, r4= 3.23,  &end
#
#  15 DA    H2'2 15 DA  H3'     2.390   2.900
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 509, r1= 1.89, r2= 2.39, r3= 2.90, r4= 3.40,  &end
#
#  15 DA    H1'  15 DA  H3'     3.560   4.020
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 509, r1= 3.06, r2= 3.56, r3= 4.02, r4= 4.52,  &end
#
#  15 DA    H1'  15 DA  H2'2    2.100   2.590
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 512, r1= 1.60, r2= 2.10, r3= 2.59, r4= 3.09,  &end
#
#  15 DA    H8   15 DA  H3'     4.190   4.650
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 509, r1= 3.69, r2= 4.19, r3= 4.65, r4= 5.15,  &end
#
#  15 DA    H8   15 DA  H2'1    1.990   2.590
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 511, r1= 1.49, r2= 1.99, r3= 2.59, r4= 3.09,  &end
#
#  15 DA    H8   15 DA  H1'     3.690   4.210
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 492, r1= 3.19, r2= 3.69, r3= 4.21, r4= 4.71,  &end
#
#  16 DC    H2'1  5 FAG H2B     1.840   2.980
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 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= 542, 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= 525, 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= 528, 172, r1= 1.75, r2= 2.25, r3= 3.09, r4= 3.59,  &end
#
#  16 DC    H5   15 DA  H1'     4.290   4.970
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 492, r1= 3.79, r2= 4.29, r3= 4.97, r4= 5.47,  &end
#
#  16 DC    H5   15 DA  H8      3.510   4.060
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 495, r1= 3.01, r2= 3.51, r3= 4.06, r4= 4.56,  &end
#
#  16 DC    H6   15 DA  H2'1    3.060   3.590
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 511, r1= 2.56, r2= 3.06, r3= 3.59, r4= 4.09,  &end
#
#  16 DC    H6   15 DA  H2'2    2.110   2.630
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 512, r1= 1.61, r2= 2.11, r3= 2.63, r4= 3.13,  &end
#
#  16 DC    H6   15 DA  H1'     3.820   4.380
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 492, r1= 3.32, r2= 3.82, r3= 4.38, r4= 4.88,  &end
#
#  16 DC    H6   15 DA  H8      4.690   5.200
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 495, r1= 4.19, r2= 4.69, r3= 5.20, r4= 5.70,  &end
#
#  16 DC    H5   15 DA  H2'1    3.050   3.540
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 511, r1= 2.55, r2= 3.05, r3= 3.54, r4= 4.04,  &end
#
#  16 DC    H1'  16 DC  H2'2    2.130   2.630
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 542, 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= 530, 541, 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= 530, 542, 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= 528, 539, 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= 528, 541, 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= 528, 542, 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= 528, 525, r1= 3.02, r2= 3.52, r3= 4.04, r4= 4.54,  &end
#
#  17 DT    H6    5 FAG H3A     3.570   3.970
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 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= 558, 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= 558, 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= 558, 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= 574, 571, 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= 555, 571, 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= 555, 574, 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= 558, 571, 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= 558, 573, 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= 558, 574, 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= 558, 555, 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, 574, r1= 1.43, r2= 1.93, r3= 6.34, r4= 6.84,
 igr1= 561, 562, 563,
 &end
#
#  17 DT    Q5   17 DT  H1'     2.890   5.510
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 2.39, r2= 2.89, r3= 6.62, r4= 7.12,
 igr1= 561, 562, 563,
 &end
#
#  17 DT    Q5   17 DT  H6      2.570   3.830
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 2.07, r2= 2.57, r3= 4.60, r4= 5.10,
 igr1= 561, 562, 563,
 &end
#
#  18 DT    H3   17 DT  H3      4.330   4.850 
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 567, 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= 587, 555, r1= 4.61, r2= 5.11, r3= 5.69, r4= 6.19,  &end
#
#  18 DT    Q5   17 DT  H2'1    1.990   3.580
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.49, r2= 1.99, r3= 4.30, r4= 4.80,
 igr1= 593, 594, 595,
 &end
#
#  18 DT    Q5   17 DT  H2'2    2.580   4.260
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 2.08, r2= 2.58, r3= 5.12, r4= 5.62,
 igr1= 593, 594, 595,
 &end
#
#  18 DT    Q5   17 DT  H6      2.720   4.310
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 2.22, r2= 2.72, r3= 5.18, r4= 5.68,
 igr1= 593, 594, 595,
 &end
#
#  18 DT    H6   17 DT  H2'1    3.970   4.330
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 573, 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= 590, 574, 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= 590, 555, 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= 590, 558, 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= 587, 603, 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= 587, 605, 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= 587, 606, 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, 587, r1= 3.44, r2= 3.94, r3= 6.74, r4= 7.24,
 igr1= 593, 594, 595,
 &end
#
#  18 DT    H6   18 DT  H2'1    1.640   2.210
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 605, 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= 590, 587, 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= 631, 599, 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= 622, 605, 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= 622, 606, 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= 622, 587, 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= 622, 590, 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= 638, 635, 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= 619, 635, 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= 619, 637, 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= 619, 638, 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= 622, 635, 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= 622, 638, 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= 622, 619, 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= 660, 631, 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= 668, 619, 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= 654, 635, 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= 654, 637, 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= 654, 638, 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= 654, 619, 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= 654, 622, 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= 654, 668, 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= 654, 670, 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= 654, 671, 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= 670, 668, 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= 671, 668, 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= 651, 668, 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= 651, 670, 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= 651, 671, 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= 654, 651, 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, 658, 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, 660, 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, 659, 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, 658, 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, 664, 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, 629, 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, 629, 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, 627, 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, 597, 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, 599, 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, 598, 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, 565, 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, 567, 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, 566, 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, 535, 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, 537, 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, 535, 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, 534, 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, 532, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  6  DC   H41  5  FAG  O8  2.41 2.61
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 533, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  6  DC   H42 15  DG   O6  1.80 2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 499, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  6  DC   N3 15  DG   H1  1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 501, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  6  DC   N3 15  DG   N1  2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 500, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  6  DC   N4 15  DG   O6  2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 499, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  6  DC   O2 15  DG   H22  1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 505, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#  7  DT   H3 14  DA   N1  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 470, 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= 249, 470, 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= 248, 468, 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= 282, 438, 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= 281, 438, 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= 280, 436, 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= 311, 402, 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= 312, 404, 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= 312, 403, 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= 309, 402, 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= 314, 408, 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= 340, 373, 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= 342, 375, 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= 342, 374, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
# 673 atoms read from pdb file AGC_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 DC ALPHA:  (5 FAG O3')-(6 DC P)-(6 DC O5')-(6 DC 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 DC O3')-(7 DT P)-(7 DT O5')-(7 DT C5') -90.0 -30.0
 &rst     iat =   226,   227,   230,   231,
   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 =   258,   259,   262,   263,
   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 =   290,   291,   294,   295,
   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 =   383,   384,   387,   388,
   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 =   416,   417,   420,   421,
   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 =   448,   449,   452,   453,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 DG ALPHA:  (14 DA O3')-(15 DG P)-(15 DG O5')-(15 DG C5') -90.0 -30.0
 &rst     iat =   480,   481,   484,   485,
   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 =   543,   544,   547,   548,
   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 =   575,   576,   579,   580,
   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 =   607,   608,   611,   612,
   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 DC BETA:  (6 DC P)-(6 DC O5')-(6 DC C5')-(6 DC 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 =   227,   230,   231,   234,
   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 =   259,   262,   263,   266,
   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 =   291,   294,   295,   298,
   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 =   384,   387,   388,   391,
   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 =   417,   420,   421,   424,
   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 =   449,   452,   453,   456,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 DG BETA:  (15 DG P)-(15 DG O5')-(15 DG C5')-(15 DG C4') 150.0 210.0
 &rst     iat =   481,   484,   485,   488,
   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 =   544,   547,   548,   551,
   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 =   576,   579,   580,   583,
   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 =   608,   611,   612,   615,
   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 DC GAMMA:  (6 DC O5')-(6 DC C5')-(6 DC C4')-(6 DC C3')  30.0  90.0
 &rst     iat =   200,   201,   204,   221,
   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 =   230,   231,   234,   253,
   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 =   262,   263,   266,   285,
   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 =   294,   295,   298,   315,
   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 =   387,   388,   391,   411,
   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 =   420,   421,   424,   443,
   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 =   452,   453,   456,   475,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 15 DG GAMMA:  (15 DG O5')-(15 DG C5')-(15 DG C4')-(15 DG C3')  30.0  90.0
 &rst     iat =   484,   485,   488,   508,
   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 =   547,   548,   551,   570,
   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 =   579,   580,   583,   602,
   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 =   611,   612,   615,   634,
   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 DC EPSILN:  (6 DC C4')-(6 DC C3')-(6 DC O3')-(7 DT P) 165.0 225.0
 &rst     iat =   204,   221,   226,   227,
   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 =   234,   253,   258,   259,
   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 =   266,   285,   290,   291,
   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 =   298,   315,   320,   321,
   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 =   391,   411,   416,   417,
   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 =   424,   443,   448,   449,
   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 DG P) 165.0 225.0
 &rst     iat =   456,   475,   480,   481,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 15 DG EPSILN:  (15 DG C4')-(15 DG C3')-(15 DG O3')-(16 DC P) 165.0 225.0
 &rst     iat =   488,   508,   513,   514,
   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 =   551,   570,   575,   576,
   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 =   583,   602,   607,   608,
   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 =   615,   634,   639,   640,
   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 DC ZETA:  (6 DC C3')-(6 DC O3')-(7 DT P)-(7 DT O5') -135.0 -75.0
 &rst     iat =   221,   226,   227,   230,
   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 =   253,   258,   259,   262,
   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 =   285,   290,   291,   294,
   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 =   315,   320,   321,   324,
   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 =   411,   416,   417,   420,
   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 =   443,   448,   449,   452,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 14 DA ZETA:  (14 DA C3')-(14 DA O3')-(15 DG P)-(15 DG O5') -135.0 -75.0
 &rst     iat =   475,   480,   481,   484,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 15 DG ZETA:  (15 DG C3')-(15 DG O3')-(16 DC P)-(16 DC O5') -135.0 -75.0
 &rst     iat =   508,   513,   514,   517,
   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 =   570,   575,   576,   579,
   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 =   602,   607,   608,   611,
   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 =   634,   639,   640,   643,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 673 atoms read from pdb file AGC_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 DC NU0:  (6 DC C4')-(6 DC O4')-(6 DC C1')-(6 DC C2') -44.7 -14.7
 &rst     iat =   204,   206,   207,   223,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 6 DC NU1:  (6 DC O4')-(6 DC C1')-(6 DC C2')-(6 DC C3')  18.1  48.1
 &rst     iat =   206,   207,   223,   221,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 6 DC NU2:  (6 DC C1')-(6 DC C2')-(6 DC C3')-(6 DC C4') -37.2  -6.7
 &rst     iat =   207,   223,   221,   204,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 6 DC NU3:  (6 DC C2')-(6 DC C3')-(6 DC C4')-(6 DC O4') -16.9  24.2
 &rst     iat =   223,   221,   204,   206,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 6 DC NU4:  (6 DC C3')-(6 DC C4')-(6 DC O4')-(6 DC C1')  -1.9  34.0
 &rst     iat =   221,   204,   206,   207,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 7 DT NU0:  (7 DT C4')-(7 DT O4')-(7 DT C1')-(7 DT C2') -52.1 -22.1
 &rst     iat =   234,   236,   237,   255,
   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 =   236,   237,   255,   253,
   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 =   237,   255,   253,   234,
   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 =   255,   253,   234,   236,
   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 =   253,   234,   236,   237,
   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 =   266,   268,   269,   287,
   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 =   268,   269,   287,   285,
   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 =   269,   287,   285,   266,
   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 =   287,   285,   266,   268,
   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 =   285,   266,   268,   269,
   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 =   298,   300,   301,   317,
   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 =   300,   301,   317,   315,
   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 =   301,   317,   315,   298,
   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 =   317,   315,   298,   300,
   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 =   315,   298,   300,   301,
   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 =   391,   393,   394,   413,
   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 =   393,   394,   413,   411,
   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 =   394,   413,   411,   391,
   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 =   413,   411,   391,   393,
   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 =   411,   391,   393,   394,
   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 =   424,   426,   427,   445,
   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 =   426,   427,   445,   443,
   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 =   427,   445,   443,   424,
   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 =   445,   443,   424,   426,
   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 =   443,   424,   426,   427,
   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 =   456,   458,   459,   477,
   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 =   458,   459,   477,   475,
   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 =   459,   477,   475,   456,
   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 =   477,   475,   456,   458,
   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 =   475,   456,   458,   459,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end

# 15 DG NU0:  (15 DG C4')-(15 DG O4')-(15 DG C1')-(15 DG C2') -44.7 -14.7
 &rst     iat =   488,   490,   491,   510,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 15 DG NU1:  (15 DG O4')-(15 DG C1')-(15 DG C2')-(15 DG C3')  18.1  48.1
 &rst     iat =   490,   491,   510,   508,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
 &end

# 15 DG NU2:  (15 DG C1')-(15 DG C2')-(15 DG C3')-(15 DG C4') -37.2  -6.7
 &rst     iat =   491,   510,   508,   488,
   r1 = -38.2, r2 = -37.2, r3 =  -6.7, r4 =  -5.7,
 &end

# 15 DG NU3:  (15 DG C2')-(15 DG C3')-(15 DG C4')-(15 DG O4') -16.9  24.2
 &rst     iat =   510,   508,   488,   490,
   r1 = -17.9, r2 = -16.9, r3 =  24.2, r4 =  25.2,
 &end

# 15 DG NU4:  (15 DG C3')-(15 DG C4')-(15 DG O4')-(15 DG C1')  -1.9  34.0
 &rst     iat =   508,   488,   490,   491,
   r1 =  -2.9, r2 =  -1.9, r3 =  34.0, r4 =  35.0,
 &end

# 17 DT NU0:  (17 DT C4')-(17 DT O4')-(17 DT C1')-(17 DT C2') -52.1 -22.1
 &rst     iat =   551,   553,   554,   572,
   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 =   553,   554,   572,   570,
   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 =   554,   572,   570,   551,
   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 =   572,   570,   551,   553,
   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 =   570,   551,   553,   554,
   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 =   583,   585,   586,   604,
   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 =   585,   586,   604,   602,
   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 =   586,   604,   602,   583,
   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 =   604,   602,   583,   585,
   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 =   602,   583,   585,   586,
   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 =   615,   617,   618,   636,
   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 =   617,   618,   636,   634,
   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 =   618,   636,   634,   615,
   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 =   636,   634,   615,   617,
   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 =   634,   615,   617,   618,
   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   5.614  22.101   5.390
    2   H5''   DC   1          H5''       DC   1   5.832  21.493   7.000
    3    H4'   DC   1           H4'       DC   1   3.506  21.532   6.514
    4    H3'   DC   1           H3'       DC   1   4.675  19.203   7.432
    5    H2'   DC   1           H2'       DC   1   4.841  18.158   5.351
    6   H2''   DC   1          H2''       DC   1   3.257  17.500   5.866
    7    H1'   DC   1           H1'       DC   1   2.067  19.243   4.723
    8    H41   DC   1           H41       DC   1   4.864  17.642  -1.157
    9    H42   DC   1           H42       DC   1   3.118  17.521  -1.249
   10    H5    DC   1           H5        DC   1   5.962  18.186   1.018
   11    H6    DC   1           H6        DC   1   5.565  18.891   3.284
   12   HO5'   DC   1          H5T        DC   1   7.361  20.576   5.385
   13    H5'   DT   2           H5'       DT   2   0.112  18.804   6.407
   14   H5''   DT   2          H5''       DT   2  -0.695  18.281   7.857
   15    H4'   DT   2           H4'       DT   2  -1.835  17.303   6.070
   16    H3'   DT   2           H3'       DT   2  -0.684  15.560   7.995
   17    H2'   DT   2           H2'       DT   2   1.072  14.877   6.449
   18   H2''   DT   2          H2''       DT   2  -0.180  13.600   6.152
   19    H1'   DT   2           H1'       DT   2  -1.225  14.942   4.472
   20    H3    DT   2           H3        DT   2   0.722  14.355   0.420
   21    H71   DT   2           H71       DT   2   4.872  15.758   2.403
   22    H72   DT   2           H72       DT   2   4.912  14.047   2.862
   23    H73   DT   2           H73       DT   2   4.633  15.248   4.112
   24    H6    DT   2           H6        DT   2   2.443  15.281   4.811
   25    H5'   DA   3           H5'       DA   3  -5.621  13.068   7.398
   26   H5''   DA   3          H5''       DA   3  -3.948  12.784   6.795
   27    H4'   DA   3           H4'       DA   3  -6.208  13.617   4.960
   28    H3'   DA   3           H3'       DA   3  -6.383  11.242   6.235
   29    H2'   DA   3           H2'       DA   3  -4.106  10.615   5.862
   30   H2''   DA   3          H2''       DA   3  -4.891   9.705   4.522
   31    H1'   DA   3           H1'       DA   3  -4.490  11.428   2.964
   32    H8    DA   3           H8        DA   3  -1.883  11.318   5.902
   33    H61   DA   3           H61       DA   3   2.302  11.089   1.270
   34    H62   DA   3           H62       DA   3   2.138  11.061   3.027
   35    H2    DA   3           H2        DA   3  -1.630  11.364  -0.542
   36    H5'   DA   4           H5'       DA   4  -6.455  10.518   1.296
   37   H5''   DA   4          H5''       DA   4  -7.984   9.621   1.163
   38    H4'   DA   4           H4'       DA   4  -6.560   8.668  -0.450
   39    H3'   DA   4           H3'       DA   4  -7.541   7.021   1.608
   40    H2'   DA   4           H2'       DA   4  -5.505   7.014   2.823
   41   H2''   DA   4          H2''       DA   4  -5.354   5.544   1.813
   42    H1'   DA   4           H1'       DA   4  -4.142   6.653   0.186
   43    H8    DA   4           H8        DA   4  -3.562   7.559   3.782
   44    H61   DA   4           H61       DA   4   2.442   7.385   2.015
   45    H62   DA   4           H62       DA   4   1.379   7.513   3.407
   46    H2    DA   4           H2        DA   4   0.038   7.386  -1.577
   47    H31  FAG   5           H3A      FAG   5   3.489   4.245  -0.997
   48    H32  FAG   5           H3B      FAG   5   3.036   2.582  -1.374
   49   H2A1  FAG   5          H2A       FAG   5   5.523   3.482  -0.277
   50   H2A2  FAG   5          H2B       FAG   5   5.015   1.793  -0.564
   51   H5'1  FAG   5          H5'       FAG   5  -9.028   3.266  -1.160
   52   H5'2  FAG   5          H5''      FAG   5  -7.554   3.478  -0.239
   53    H4'  FAG   5           H4'      FAG   5  -7.472   2.497  -3.080
   54    H1'  FAG   5           H1'      FAG   5  -5.073   0.589  -1.653
   55    HN9  FAG   5           HN9      FAG   5  -4.761   1.428   1.045
   56   HN21  FAG   5          HN21      FAG   5  -1.097   0.827  -3.120
   57   HN22  FAG   5          HN22      FAG   5   0.361   0.464  -2.221
   58    H1   FAG   5           H1       FAG   5   0.455   0.233  -0.145
   59    H8   FAG   5           H8       FAG   5  -4.648  -0.493   2.869
   60   H2'1  FAG   5          H2'       FAG   5  -7.028   1.229   0.532
   61   H2'2  FAG   5          H2''      FAG   5  -6.643  -0.342  -0.173
   62    H3'  FAG   5           H3'      FAG   5  -8.744   0.971  -1.170
   63    H8A  FAG   5           H8A      FAG   5  -3.975   1.517   4.125
   64    H9   FAG   5           H9       FAG   5  -1.255   1.773   3.970
   65    HO9  FAG   5           HO9      FAG   5  -2.242   2.010   5.920
   66    H9A  FAG   5           H9A      FAG   5  -1.482   4.505   4.083
   67    H6A  FAG   5           H6A      FAG   5  -3.514   5.119   3.036
   68    H5B  FAG   5           H5       FAG   5  -1.826   4.308  -0.963
   69    HM1  FAG   5           HA1      FAG   5  -0.429   5.155  -2.854
   70    HM2  FAG   5           HA2      FAG   5  -0.705   3.419  -3.065
   71    HM3  FAG   5           HA3      FAG   5   0.783   4.184  -3.696
   72    H5'   DC   6           H5'       DC   6  -6.148   0.881  -4.898
   73   H5''   DC   6          H5''       DC   6  -7.053   0.468  -6.364
   74    H4'   DC   6           H4'       DC   6  -4.892   0.050  -6.937
   75    H3'   DC   6           H3'       DC   6  -6.371  -2.355  -6.791
   76    H2'   DC   6           H2'       DC   6  -5.635  -2.895  -4.672
   77   H2''   DC   6          H2''       DC   6  -4.418  -3.753  -5.703
   78    H1'   DC   6           H1'       DC   6  -2.860  -2.166  -5.433
   79    H41   DC   6           H41       DC   6  -3.042  -2.567   1.179
   80    H42   DC   6           H42       DC   6  -1.474  -3.035   0.581
   81    H5    DC   6           H5        DC   6  -4.866  -2.012  -0.368
   82    H6    DC   6           H6        DC   6  -5.377  -1.583  -2.757
   83    H5'   DT   7           H5'       DT   7  -1.693  -2.460  -7.954
   84   H5''   DT   7          H5''       DT   7  -1.798  -3.208  -9.556
   85    H4'   DT   7           H4'       DT   7   0.354  -3.659  -8.635
   86    H3'   DT   7           H3'       DT   7  -1.242  -5.726  -9.577
   87    H2'   DT   7           H2'       DT   7  -1.842  -6.562  -7.493
   88   H2''   DT   7          H2''       DT   7  -0.351  -7.484  -7.677
   89    H1'   DT   7           H1'       DT   7   0.889  -6.006  -6.377
   90    H3    DT   7           H3        DT   7  -0.083  -6.496  -2.006
   91    H71   DT   7           H71       DT   7  -4.406  -4.477  -3.149
   92    H72   DT   7           H72       DT   7  -4.672  -6.203  -2.941
   93    H73   DT   7           H73       DT   7  -4.762  -5.511  -4.570
   94    H6    DT   7           H6        DT   7  -2.795  -5.400  -5.821
   95    H5'   DT   8           H5'       DT   8   3.052  -6.566  -8.022
   96   H5''   DT   8          H5''       DT   8   3.966  -7.531  -9.149
   97    H4'   DT   8           H4'       DT   8   4.696  -8.053  -6.951
   98    H3'   DT   8           H3'       DT   8   3.801 -10.078  -8.684
   99    H2'   DT   8           H2'       DT   8   1.877 -10.629  -7.403
  100   H2''   DT   8          H2''       DT   8   3.068 -11.621  -6.500
  101    H1'   DT   8           H1'       DT   8   3.432  -9.940  -4.897
  102    H3    DT   8           H3        DT   8   0.199  -9.882  -1.853
  103    H71   DT   8           H71       DT   8  -2.869  -8.409  -5.399
  104    H72   DT   8           H72       DT   8  -2.977 -10.170  -5.465
  105    H73   DT   8           H73       DT   8  -2.173  -9.307  -6.780
  106    H6    DT   8           H6        DT   8   0.138  -9.414  -6.653
  107    H5'   DC   9           H5'       DC   9   6.202 -11.027  -4.630
  108   H5''   DC   9          H5''       DC   9   7.460 -12.176  -5.078
  109    H4'   DC   9           H4'       DC   9   6.896 -12.604  -2.836
  110    H3'   DC   9           H3'       DC   9   6.638 -14.684  -4.717
  111    H2'   DC   9           H2'       DC   9   4.354 -14.729  -4.731
  112   H2''   DC   9          H2''       DC   9   4.601 -15.852  -3.376
  113    H1'   DC   9           H1'       DC   9   4.373 -14.060  -1.761
  114    H41   DC   9           H41       DC   9  -1.690 -12.633  -4.055
  115    H42   DC   9           H42       DC   9  -1.778 -12.895  -2.313
  116    H5    DC   9           H5        DC   9   0.435 -12.717  -5.278
  117    H6    DC   9           H6        DC   9   2.811 -13.194  -5.016
  118    H5'   DA  10           H5'       DA  10   5.872 -15.898  -0.304
  119   H5''   DA  10          H5''       DA  10   6.825 -17.325   0.084
  120    H4'   DA  10           H4'       DA  10   4.810 -17.511   1.220
  121    H3'   DA  10           H3'       DA  10   5.382 -19.465  -0.826
  122   HO3'   DA  10          H3T        DA  10   4.307 -20.828   0.644
  123    H2'   DA  10           H2'       DA  10   3.572 -18.837  -2.113
  124   H2''   DA  10          H2''       DA  10   2.706 -19.969  -1.035
  125    H1'   DA  10           H1'       DA  10   2.171 -18.221   0.541
  126    H8    DA  10           H8        DA  10   2.231 -17.205  -3.201
  127    H61   DA  10           H61       DA  10  -3.778 -15.758  -2.088
  128    H62   DA  10           H62       DA  10  -2.534 -15.695  -3.343
  129    H2    DA  10           H2        DA  10  -2.028 -17.304   1.590
  130    H5'   DT  11           H5'       DT  11 -11.513 -17.273   4.493
  131   H5''   DT  11          H5''       DT  11 -10.739 -16.752   3.002
  132    H4'   DT  11           H4'       DT  11  -9.462 -18.759   4.881
  133    H3'   DT  11           H3'       DT  11  -9.810 -16.116   5.556
  134    H2'   DT  11           H2'       DT  11  -8.729 -15.196   3.617
  135   H2''   DT  11          H2''       DT  11  -7.344 -15.320   4.763
  136    H1'   DT  11           H1'       DT  11  -6.653 -17.381   3.960
  137    H3    DT  11           H3        DT  11  -4.288 -16.374   0.179
  138    H71   DT  11           H71       DT  11  -9.415 -14.693  -0.544
  139    H72   DT  11           H72       DT  11  -8.415 -15.251  -1.902
  140    H73   DT  11           H73       DT  11  -8.093 -13.677  -1.175
  141    H6    DT  11           H6        DT  11  -8.904 -15.737   1.443
  142   HO5'   DT  11          H5T        DT  11 -10.722 -19.066   2.425
  143    H5'   DG  12           H5'       DG  12  -5.486 -17.615   6.604
  144   H5''   DG  12          H5''       DG  12  -5.119 -17.125   8.243
  145    H4'   DG  12           H4'       DG  12  -3.155 -16.921   6.980
  146    H3'   DG  12           H3'       DG  12  -4.253 -14.602   8.256
  147    H2'   DG  12           H2'       DG  12  -4.622 -13.536   6.194
  148   H2''   DG  12          H2''       DG  12  -2.908 -13.006   6.424
  149    H1'   DG  12           H1'       DG  12  -2.089 -14.954   5.250
  150    H8    DG  12           H8        DG  12  -5.476 -13.655   3.819
  151    H1    DG  12           H1        DG  12  -0.397 -13.535  -0.194
  152    H21   DG  12           H21       DG  12   1.262 -14.708   2.622
  153    H22   DG  12           H22       DG  12   1.410 -14.147   0.978
  154    H5'   DA  13           H5'       DA  13   0.214 -15.024   6.680
  155   H5''   DA  13          H5''       DA  13   1.179 -14.585   8.074
  156    H4'   DA  13           H4'       DA  13   2.510 -14.285   6.127
  157    H3'   DA  13           H3'       DA  13   2.106 -12.207   7.990
  158    H2'   DA  13           H2'       DA  13   0.774 -10.884   6.574
  159   H2''   DA  13          H2''       DA  13   2.354 -10.279   6.083
  160    H1'   DA  13           H1'       DA  13   2.441 -11.772   4.163
  161    H8    DA  13           H8        DA  13  -1.166 -10.899   5.307
  162    H61   DA  13           H61       DA  13  -1.884  -9.655  -0.797
  163    H62   DA  13           H62       DA  13  -2.762  -9.575   0.723
  164    H2    DA  13           H2        DA  13   2.137 -10.970  -0.232
  165    H5'   DA  14           H5'       DA  14   5.420 -12.081   4.681
  166   H5''   DA  14          H5''       DA  14   6.911 -11.341   5.286
  167    H4'   DA  14           H4'       DA  14   6.620 -10.890   2.930
  168    H3'   DA  14           H3'       DA  14   7.003  -8.794   4.861
  169    H2'   DA  14           H2'       DA  14   4.958  -7.789   4.473
  170   H2''   DA  14          H2''       DA  14   5.805  -7.021   3.101
  171    H1'   DA  14           H1'       DA  14   5.141  -8.708   1.585
  172    H8    DA  14           H8        DA  14   2.626  -8.349   4.544
  173    H61   DA  14           H61       DA  14  -1.215  -6.421   0.012
  174    H62   DA  14           H62       DA  14  -1.080  -6.558   1.770
  175    H2    DA  14           H2        DA  14   2.549  -7.395  -1.834
  176    H5'   DG  15           H5'       DG  15   7.636  -8.367   0.180
  177   H5''   DG  15          H5''       DG  15   9.179  -7.576  -0.069
  178    H4'   DG  15           H4'       DG  15   7.703  -6.986  -1.854
  179    H3'   DG  15           H3'       DG  15   9.040  -4.998  -0.287
  180    H2'   DG  15           H2'       DG  15   7.074  -4.042   0.618
  181   H2''   DG  15          H2''       DG  15   7.060  -3.204  -0.934
  182    H1'   DG  15           H1'       DG  15   5.664  -4.742  -1.948
  183    H8    DG  15           H8        DG  15   5.179  -5.011   1.941
  184    H1    DG  15           H1        DG  15   0.022  -3.129  -1.463
  185    H21   DG  15           H21       DG  15   2.222  -3.399  -4.105
  186    H22   DG  15           H22       DG  15   0.582  -3.001  -3.598
  187    H5'   DC  16           H5'       DC  16   6.995  -3.701  -4.230
  188   H5''   DC  16          H5''       DC  16   8.016  -2.577  -5.153
  189    H4'   DC  16           H4'       DC  16   5.695  -1.869  -5.309
  190    H3'   DC  16           H3'       DC  16   7.732  -0.082  -4.286
  191    H2'   DC  16           H2'       DC  16   6.637   0.292  -2.288
  192   H2''   DC  16          H2''       DC  16   5.632   1.402  -3.279
  193    H1'   DC  16           H1'       DC  16   4.047  -0.287  -3.723
  194    H41   DC  16           H41       DC  16   2.947  -0.943   2.800
  195    H42   DC  16           H42       DC  16   1.460  -0.407   2.004
  196    H5    DC  16           H5        DC  16   5.015  -1.265   1.558
  197    H6    DC  16           H6        DC  16   6.008  -1.168  -0.697
  198    H5'   DT  17           H5'       DT  17   7.678   4.363  -6.300
  199   H5''   DT  17          H5''       DT  17   7.285   4.804  -4.626
  200    H4'   DT  17           H4'       DT  17   5.182   4.181  -6.760
  201    H3'   DT  17           H3'       DT  17   6.717   6.324  -7.030
  202    H2'   DT  17           H2'       DT  17   6.544   7.078  -4.750
  203   H2''   DT  17          H2''       DT  17   5.301   8.109  -5.487
  204    H1'   DT  17           H1'       DT  17   3.554   6.612  -4.981
  205    H3    DT  17           H3        DT  17   2.345   7.138  -0.683
  206    H71   DT  17           H71       DT  17   7.650   5.905  -0.775
  207    H72   DT  17           H72       DT  17   7.121   7.148   0.348
  208    H73   DT  17           H73       DT  17   6.636   5.465   0.608
  209    H6    DT  17           H6        DT  17   6.524   5.937  -2.774
  210    H5'   DT  18           H5'       DT  18   2.015   7.218  -7.401
  211   H5''   DT  18          H5''       DT  18   1.836   8.146  -8.911
  212    H4'   DT  18           H4'       DT  18   0.111   8.881  -7.432
  213    H3'   DT  18           H3'       DT  18   2.049  10.743  -8.409
  214    H2'   DT  18           H2'       DT  18   3.095  10.976  -6.310
  215   H2''   DT  18          H2''       DT  18   1.877  12.282  -6.210
  216    H1'   DT  18           H1'       DT  18   0.268  10.754  -5.191
  217    H3    DT  18           H3        DT  18   1.195  11.404  -0.834
  218    H71   DT  18           H71       DT  18   5.658   9.438  -3.223
  219    H72   DT  18           H72       DT  18   5.387   9.277  -1.453
  220    H73   DT  18           H73       DT  18   5.885  10.832  -2.143
  221    H6    DT  18           H6        DT  18   3.798   9.810  -4.567
  222    H5'   DA  19           H5'       DA  19  -2.554  10.376  -7.369
  223   H5''   DA  19          H5''       DA  19  -3.708  10.774  -8.628
  224    H4'   DA  19           H4'       DA  19  -4.780  11.303  -6.584
  225    H3'   DA  19           H3'       DA  19  -4.575  13.308  -8.436
  226    H2'   DA  19           H2'       DA  19  -2.647  14.350  -7.519
  227   H2''   DA  19          H2''       DA  19  -3.894  15.280  -6.646
  228    H1'   DA  19           H1'       DA  19  -3.781  13.934  -4.705
  229    H8    DA  19           H8        DA  19  -0.572  14.061  -6.886
  230    H61   DA  19           H61       DA  19   2.368  14.532  -1.394
  231    H62   DA  19           H62       DA  19   2.601  14.480  -3.130
  232    H2    DA  19           H2        DA  19  -1.876  14.127  -0.578
  233    H5'   DG  20           H5'       DG  20  -6.532  14.201  -4.218
  234   H5''   DG  20          H5''       DG  20  -7.956  15.203  -4.371
  235    H4'   DG  20           H4'       DG  20  -6.799  15.806  -2.361
  236    H3'   DG  20           H3'       DG  20  -7.252  17.770  -4.416
  237   HO3'   DG  20          H3T        DG  20  -8.277  17.798  -2.353
  238    H2'   DG  20           H2'       DG  20  -4.973  18.269  -4.644
  239   H2''   DG  20          H2''       DG  20  -5.271  19.249  -3.149
  240    H1'   DG  20           H1'       DG  20  -4.698  17.472  -1.722
  241    H8    DG  20           H8        DG  20  -2.845  17.362  -5.177
  242    H1    DG  20           H1        DG  20   0.941  17.827   0.054
  243    H21   DG  20           H21       DG  20  -2.147  17.799   1.694
  244    H22   DG  20           H22       DG  20  -0.392  17.915   1.878