*HEADER    DNA                                     17-MAR-14   2MMQ              
*TITLE     SOLUTION STRUCTURE OF AGT FAPY MODIFIED DUPLEX                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*CP*TP*AP*AP*(FAG)P*TP*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*AP*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, AGT, DNA  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    L.LI, M.STONE                                                         
*REVDAT   1   25-FEB-15 2MMQ    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, 661, 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, 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
#
#   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 DT    H6    5 FAG HN9     2.660   4.670 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 138, r1= 2.16, r2= 2.66, r3= 4.67, r4= 5.17,  &end
#
#   6 DT    H6    5 FAG H1'     3.020   3.530
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 136, r1= 2.52, r2= 3.02, r3= 3.53, r4= 4.03,  &end
#
#   6 DT    H6    5 FAG H2'2    3.000   3.690
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 195, r1= 2.50, r2= 3.00, r3= 3.69, r4= 4.19,  &end
#
#   6 DT    H6    5 FAG H3'     5.340   5.940
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 192, r1= 4.84, r2= 5.34, r3= 5.94, r4= 6.44,  &end
#
#   6 DT    H6    5 FAG H8      6.580   7.340
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 152, r1= 6.08, r2= 6.58, r3= 7.34, r4= 7.84,  &end
#
#   6 DT    Q5    5 FAG H1'     2.510   3.560
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 136, r1= 2.01, r2= 2.51, r3= 4.28, r4= 4.78,
 igr1= 214, 215, 216,
 &end
#
#   6 DT    Q5    5 FAG H2'1    2.900   4.470
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 194, r1= 2.40, r2= 2.90, r3= 5.37, r4= 5.87,
 igr1= 214, 215, 216,
 &end
#
#   6 DT    Q5    5 FAG H2'2    2.590   3.500
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 2.09, r2= 2.59, r3= 4.20, r4= 4.70,
 igr1= 214, 215, 216,
 &end
#
#   6 DT    Q5    5 FAG H8      2.790   4.990
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 2.29, r2= 2.79, r3= 5.99, r4= 6.49,
 igr1= 214, 215, 216,
 &end
#
#   6 DT    H1'   6 DT  H2'1    2.570   3.220
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 226, r1= 2.07, r2= 2.57, r3= 3.22, r4= 3.72,  &end
#
#   6 DT    H1'   6 DT  H2'2    2.140   2.690
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 227, r1= 1.64, r2= 2.14, r3= 2.69, r4= 3.19,  &end
#
#   6 DT    H6    6 DT  H1'     3.470   3.930
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 208, r1= 2.97, r2= 3.47, r3= 3.93, r4= 4.43,  &end
#
#   6 DT    H6    6 DT  H2'2    3.240   3.690  
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 227, r1= 2.74, r2= 3.24, r3= 3.69, r4= 4.19,  &end
#
#   7 DT    Q5    6 DT  H2'1    2.840   4.850
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 2.34, r2= 2.84, r3= 5.82, r4= 6.32,
 igr1= 246, 247, 248,
 &end
#
#   7 DT    Q5    6 DT  H2'2    3.010   4.500
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 227, r1= 2.51, r2= 3.01, r3= 5.40, r4= 5.90,
 igr1= 246, 247, 248,
 &end
#
#   7 DT    Q5 6 DT  H3'     3.180   4.690
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 2.68, r2= 3.18, r3= 5.63, r4= 6.13,
 igr1= 246, 247, 248,
 &end
#
#   7 DT    Q5    6 DT  H1'     3.100   4.140
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 2.60, r2= 3.10, r3= 4.97, r4= 5.47,
 igr1= 246, 247, 248,
 &end
#
#   7 DT    Q5 6 DT  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= 246, 247, 248,
 &end
#
#   7 DT    H6    6 DT  H2'1    3.320   3.870
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 226, r1= 2.82, r2= 3.32, r3= 3.87, r4= 4.37,  &end
#
#   7 DT    H6 6 DT  H2'2    1.900   2.400      
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 227, r1= 1.40, r2= 1.90, r3= 2.40, r4= 2.90,  &end
#
#   7 DT    H6 6 DT  H1'     2.900   3.800
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 208, r1= 2.40, r2= 2.90, r3= 3.80, r4= 4.30,  &end
#
#   7 DT    H6 6 DT  H3'     4.600   5.000      
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 224, r1= 4.10, r2= 4.60, r3= 5.00, r4= 5.50,  &end
#
#   7 DT    H6 6 DT  H6      4.800   5.300    
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 211, r1= 4.30, r2= 4.80, r3= 5.30, r4= 5.80,  &end
#
#   7 DT    H2'1  7 DT  H3'     2.200   2.820
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 256, 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= 259, 256, 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= 240, 258, 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= 240, 259, 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= 243, 258, 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= 243, 259, 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= 275, 258, 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= 275, 259, 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= 275, 240, 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= 275, 243, 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, 256, r1= 1.88, r2= 2.38, r3= 5.42, r4= 5.92,
 igr1= 278, 279, 280,
 &end
#
#   8 DT    Q5 7 DT  H2'1    2.170   3.000         
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.67, r2= 2.17, r3= 3.60, r4= 4.10,
 igr1= 278, 279, 280,
 &end
#
#   8 DT    Q5 7 DT  H2'2    2.130   3.040         
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.63, r2= 2.13, r3= 3.65, r4= 4.15,
 igr1= 278, 279, 280,
 &end
#
#   8 DT    Q5 7 DT  H1'     2.910   4.410
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 2.41, r2= 2.91, r3= 5.30, r4= 5.80,
 igr1= 278, 279, 280,
 &end
#
#   8 DT    Q5 7 DT  H6      2.520   3.470  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 2.02, r2= 2.52, r3= 4.17, r4= 4.67,
 igr1= 278, 279, 280,
 &end
#
#   8 DT    H3'   7 DT  H1'     4.610   5.490
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 240, 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= 290, 288, 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= 291, 288, 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= 272, 288, 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= 272, 290, 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, 288, r1= 2.55, r2= 3.05, r3= 7.13, r4= 7.63,
 igr1= 278, 279, 280,
 &end
#
#   8 DT    Q5    8 DT  H1'     3.190   5.960
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 2.69, r2= 3.19, r3= 7.16, r4= 7.66,
 igr1= 278, 279, 280,
 &end
#
#   8 DT    H6    8 DT  H2'1    2.000   2.880
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 290, 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= 275, 291, 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= 275, 272, 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= 307, 290, 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= 307, 291, 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= 307, 272, 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= 307, 275, 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= 309, 288, 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= 309, 291, 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= 309, 272, 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= 309,  -1, r1= 2.31, r2= 2.81, r3= 4.68, r4= 5.18,
 igr2= 278, 279, 280,
 &end
#
#   9 DC    H5 8 DT  H6      3.590   4.080
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 275, 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= 304, 318, 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= 304, 320, 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= 304, 321, 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= 309, 320, 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= 309, 321, 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= 307, 320, 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= 307, 321, 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= 307, 304, 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= 337, 320, 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= 337, 321, 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= 337, 307, 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= 337, 304, 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= 352, 350, 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= 353, 350, 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= 334, 350, 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= 334, 352, 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= 334, 353, 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= 337, 350, 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= 337, 353, 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= 337, 334, 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= 365, 381, 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= 365, 383, 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= 365, 384, 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, 365, r1= 2.91, r2= 3.41, r3= 7.03, r4= 7.53,
 igr1= 371, 372, 373,
 &end
#
#  11 DT5   H6   11 DT5 H3'     3.820   4.280
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 381, 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= 368, 383, 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= 368, 384, 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= 368, 365, 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= 368,  -1, r1= 1.52, r2= 2.02, r3= 3.42, r4= 3.92,
 igr2= 371, 372, 373,
 &end
#
#  12 DG    H8   11 DT5 H3'     4.990   5.480
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 381, 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= 400, 383, 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= 400, 384, 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= 400, 365, 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= 400, 368, 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= 400, 397, 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= 433, 397, 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= 433, 400, 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= 433, 416, 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= 433, 417, 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= 430, 446, 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= 430, 448, 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= 430, 449, 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= 433, 430, 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= 433, 449, 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= 465, 430, 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= 465, 433, 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= 465, 448, 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= 465, 449, 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= 462, 480, 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= 462, 481, 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= 465, 480, 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= 465, 462, 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= 497, 478, 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= 497, 480, 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= 497, 462, 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= 497, 465, 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= 512, 510, 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= 513, 510, 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= 494, 510, 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= 494, 513, 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= 497, 510, 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= 497, 512, 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= 497, 494, 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= 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
#
#  16 DC    H5   15 DA  H1'     4.290   4.970
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 494, 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= 531, 497, 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= 529, 512, 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= 529, 513, 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= 529, 494, 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= 529, 497, 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= 531, 512, 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= 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
#
#  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   3.580
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.49, r2= 1.99, r3= 4.30, r4= 4.80,
 igr1= 594, 595, 596,
 &end
#
#  18 DT    Q5   17 DT  H2'2    2.580   4.260
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 2.08, r2= 2.58, r3= 5.12, r4= 5.62,
 igr1= 594, 595, 596,
 &end
#
#  18 DT    Q5   17 DT  H6      2.720   4.310
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 2.22, r2= 2.72, r3= 5.18, r4= 5.68,
 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  DT   O4     15  DA   H61  1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 502, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  6  DT   H3     15  DA   N1   1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 504, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#  6  DT   N3     15  DA   N1   2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 504, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  7  DT   H3 14  DA   N1  1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 472, 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= 251, 472, 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= 250, 470, 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= 284, 440, 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= 283, 440, 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= 282, 438, 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= 313, 404, 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= 314, 406, 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= 314, 405, 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= 311, 404, 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= 316, 410, 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= 342, 375, 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= 344, 377, 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= 344, 376, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
# 674 atoms read from pdb file AGT_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 DT ALPHA:  (5 FAG O3')-(6 DT P)-(6 DT O5')-(6 DT 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 DT O3')-(7 DT P)-(7 DT O5')-(7 DT C5') -90.0 -30.0
 &rst     iat =   228,   229,   232,   233,
   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 =   260,   261,   264,   265,
   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 =   292,   293,   296,   297,
   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 =   385,   386,   389,   390,
   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 =   418,   419,   422,   423,
   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 =   450,   451,   454,   455,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 DA ALPHA:  (14 DA O3')-(15 DA P)-(15 DA O5')-(15 DA C5') -90.0 -30.0
 &rst     iat =   482,   483,   486,   487,
   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 DT BETA:  (6 DT P)-(6 DT O5')-(6 DT C5')-(6 DT 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 =   229,   232,   233,   236,
   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 =   261,   264,   265,   268,
   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 =   293,   296,   297,   300,
   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 =   386,   389,   390,   393,
   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 =   419,   422,   423,   426,
   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 =   451,   454,   455,   458,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 DA BETA:  (15 DA P)-(15 DA O5')-(15 DA C5')-(15 DA C4') 150.0 210.0
 &rst     iat =   483,   486,   487,   490,
   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 DT GAMMA:  (6 DT O5')-(6 DT C5')-(6 DT C4')-(6 DT C3')  30.0  90.0
 &rst     iat =   200,   201,   204,   223,
   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 =   232,   233,   236,   255,
   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 =   264,   265,   268,   287,
   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 =   296,   297,   300,   317,
   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 =   389,   390,   393,   413,
   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 =   422,   423,   426,   445,
   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 =   454,   455,   458,   477,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 15 DA GAMMA:  (15 DA O5')-(15 DA C5')-(15 DA C4')-(15 DA C3')  30.0  90.0
 &rst     iat =   486,   487,   490,   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 DT EPSILN:  (6 DT C4')-(6 DT C3')-(6 DT O3')-(7 DT P) 165.0 225.0
 &rst     iat =   204,   223,   228,   229,
   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 =   236,   255,   260,   261,
   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 =   268,   287,   292,   293,
   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 =   300,   317,   322,   323,
   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 =   393,   413,   418,   419,
   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 =   426,   445,   450,   451,
   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 DA P) 165.0 225.0
 &rst     iat =   458,   477,   482,   483,
   r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
 &end

# 15 DA EPSILN:  (15 DA C4')-(15 DA C3')-(15 DA O3')-(16 DC P) 165.0 225.0
 &rst     iat =   490,   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 DT ZETA:  (6 DT C3')-(6 DT O3')-(7 DT P)-(7 DT O5') -135.0 -75.0
 &rst     iat =   223,   228,   229,   232,
   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 =   255,   260,   261,   264,
   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 =   287,   292,   293,   296,
   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 =   317,   322,   323,   326,
   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 =   413,   418,   419,   422,
   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 =   445,   450,   451,   454,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 14 DA ZETA:  (14 DA C3')-(14 DA O3')-(15 DA P)-(15 DA O5') -135.0 -75.0
 &rst     iat =   477,   482,   483,   486,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 15 DA ZETA:  (15 DA C3')-(15 DA 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 AGT_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 DT NU0:  (6 DT C4')-(6 DT O4')-(6 DT C1')-(6 DT C2') -52.1 -22.1
 &rst     iat =   204,   206,   207,   225,
   r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1,
 &end

# 6 DT NU1:  (6 DT O4')-(6 DT C1')-(6 DT C2')-(6 DT C3')  15.0  45.0
 &rst     iat =   206,   207,   225,   223,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
 &end

# 6 DT NU2:  (6 DT C1')-(6 DT C2')-(6 DT C3')-(6 DT C4') -27.4   2.6
 &rst     iat =   207,   225,   223,   204,
   r1 = -28.4, r2 = -27.4, r3 =   2.6, r4 =   3.6,
 &end

# 6 DT NU3:  (6 DT C2')-(6 DT C3')-(6 DT C4')-(6 DT O4') -25.0   5.0
 &rst     iat =   225,   223,   204,   206,
   r1 = -26.0, r2 = -25.0, r3 =   5.0, r4 =   6.0,
 &end

# 6 DT NU4:  (6 DT C3')-(6 DT C4')-(6 DT O4')-(6 DT C1')  13.5  43.5
 &rst     iat =   223,   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 =   236,   238,   239,   257,
   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 =   238,   239,   257,   255,
   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 =   239,   257,   255,   236,
   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 =   257,   255,   236,   238,
   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 =   255,   236,   238,   239,
   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 =   268,   270,   271,   289,
   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 =   270,   271,   289,   287,
   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 =   271,   289,   287,   268,
   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 =   289,   287,   268,   270,
   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 =   287,   268,   270,   271,
   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 =   300,   302,   303,   319,
   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 =   302,   303,   319,   317,
   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 =   303,   319,   317,   300,
   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 =   319,   317,   300,   302,
   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 =   317,   300,   302,   303,
   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 =   393,   395,   396,   415,
   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 =   395,   396,   415,   413,
   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 =   396,   415,   413,   393,
   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 =   415,   413,   393,   395,
   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 =   413,   393,   395,   396,
   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 =   426,   428,   429,   447,
   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 =   428,   429,   447,   445,
   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 =   429,   447,   445,   426,
   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 =   447,   445,   426,   428,
   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 =   445,   426,   428,   429,
   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 =   458,   460,   461,   479,
   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 =   460,   461,   479,   477,
   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 =   461,   479,   477,   458,
   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 =   479,   477,   458,   460,
   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 =   477,   458,   460,   461,
   r1 =  -5.4, r2 =  -4.4, r3 =  25.6, r4 =  26.6,
 &end

# 15 DA NU0:  (15 DA C4')-(15 DA O4')-(15 DA C1')-(15 DA C2') -43.9 -13.9
 &rst     iat =   490,   492,   493,   511,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
 &end

# 15 DA NU1:  (15 DA O4')-(15 DA C1')-(15 DA C2')-(15 DA C3')  22.2  52.2
 &rst     iat =   492,   493,   511,   509,
   r1 =  21.2, r2 =  22.2, r3 =  52.2, r4 =  53.2,
 &end

# 15 DA NU2:  (15 DA C1')-(15 DA C2')-(15 DA C3')-(15 DA C4') -44.6 -14.6
 &rst     iat =   493,   511,   509,   490,
   r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
 &end

# 15 DA NU3:  (15 DA C2')-(15 DA C3')-(15 DA C4')-(15 DA O4')  -3.2  26.8
 &rst     iat =   511,   509,   490,   492,
   r1 =  -4.2, r2 =  -3.2, r3 =  26.8, r4 =  27.8,
 &end

# 15 DA NU4:  (15 DA C3')-(15 DA C4')-(15 DA O4')-(15 DA C1')  -4.4  25.6
 &rst     iat =   509,   490,   492,   493,
   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   6.247  18.928   6.562
    2   H5''   DC   1          H5''       DC   1   6.216  18.207   4.939
    3    H4'   DC   1           H4'       DC   1   3.987  19.955   6.163
    4    H3'   DC   1           H3'       DC   1   4.774  17.351   6.771
    5    H2'   DC   1           H2'       DC   1   4.722  16.542   4.546
    6   H2''   DC   1          H2''       DC   1   3.078  16.090   5.089
    7    H1'   DC   1           H1'       DC   1   2.090  18.083   4.272
    8    H41   DC   1           H41       DC   1   4.404  16.793  -1.814
    9    H42   DC   1           H42       DC   1   2.641  17.008  -1.904
   10    H5    DC   1           H5        DC   1   5.584  16.913   0.233
   11    H6    DC   1           H6        DC   1   5.378  17.448   2.609
   12   HO5'   DC   1          H5T        DC   1   6.016  20.454   4.165
   13    H5'   DT   2           H5'       DT   2   0.169  17.790   6.260
   14   H5''   DT   2          H5''       DT   2  -0.713  17.033   7.601
   15    H4'   DT   2           H4'       DT   2  -2.036  16.709   5.627
   16    H3'   DT   2           H3'       DT   2  -1.036  14.686   7.333
   17    H2'   DT   2           H2'       DT   2   0.558  13.980   5.673
   18   H2''   DT   2          H2''       DT   2  -0.810  12.873   5.301
   19    H1'   DT   2           H1'       DT   2  -1.769  14.466   3.783
   20    H3    DT   2           H3        DT   2   0.065  14.085  -0.366
   21    H71   DT   2           H71       DT   2   4.078  13.954   3.312
   22    H72   DT   2           H72       DT   2   4.387  14.526   1.661
   23    H73   DT   2           H73       DT   2   4.111  12.796   1.961
   24    H6    DT   2           H6        DT   2   1.932  14.118   4.098
   25    H5'   DA   3           H5'       DA   3  -4.947  14.087   4.838
   26   H5''   DA   3          H5''       DA   3  -6.091  13.022   5.642
   27    H4'   DA   3           H4'       DA   3  -6.275  12.980   3.178
   28    H3'   DA   3           H3'       DA   3  -6.318  10.884   5.035
   29    H2'   DA   3           H2'       DA   3  -4.057  10.198   4.654
   30   H2''   DA   3          H2''       DA   3  -4.911   9.130   3.495
   31    H1'   DA   3           H1'       DA   3  -4.686  10.713   1.702
   32    H8    DA   3           H8        DA   3  -1.824  10.562   4.356
   33    H61   DA   3           2H6       DA   3   1.889  10.474   1.058
   34    H62   DA   3           1H6       DA   3   1.887  10.826  -0.688
   35    H2    DA   3           H2        DA   3  -2.201  11.175  -2.075
   36    H5'   DA   4           H5'       DA   4  -7.201   9.500   0.433
   37   H5''   DA   4          H5''       DA   4  -8.627   8.465   0.615
   38    H4'   DA   4           H4'       DA   4  -7.434   7.626  -1.265
   39    H3'   DA   4           H3'       DA   4  -8.196   6.193   1.006
   40    H2'   DA   4           H2'       DA   4  -6.013   6.071   2.021
   41   H2''   DA   4          H2''       DA   4  -5.958   4.605   0.987
   42    H1'   DA   4           H1'       DA   4  -4.828   5.632  -0.704
   43    H8    DA   4           H8        DA   4  -4.155   6.858   2.818
   44    H61   DA   4           2H6       DA   4   0.766   7.679   2.086
   45    H62   DA   4           1H6       DA   4   1.680   7.614   0.593
   46    H2    DA   4           H2        DA   4  -0.905   6.930  -2.755
   47    H31  FAG   5           H3A      FAG   5   2.951   4.371  -1.346
   48    H32  FAG   5           H3B      FAG   5   2.870   2.632  -1.506
   49   H2A1  FAG   5          H2A       FAG   5   5.034   4.219  -0.362
   50   H2A2  FAG   5          H2B       FAG   5   4.967   2.434  -0.546
   51   H5'1  FAG   5          H5'       FAG   5  -6.543   3.317  -2.531
   52   H5'2  FAG   5          H5''      FAG   5  -8.056   2.478  -2.894
   53    H4'  FAG   5           H4'      FAG   5  -6.131   1.094  -3.541
   54    H1'  FAG   5           H1'      FAG   5  -4.944  -0.916  -2.176
   55    HN9  FAG   5           HN9      FAG   5  -4.430  -1.226   0.332
   56   HN21  FAG   5          1HN2      FAG   5  -0.538  -0.634  -3.291
   57   HN22  FAG   5          2HN2      FAG   5   0.839  -0.162  -2.293
   58    H1   FAG   5           1H       FAG   5   0.736   0.036  -0.202
   59    H8   FAG   5           H8       FAG   5  -2.449  -1.973   2.214
   60   H2'1  FAG   5          H2'       FAG   5  -6.868   0.065   0.031
   61   H2'2  FAG   5          H2''      FAG   5  -6.783  -1.581  -0.715
   62    H3'  FAG   5           H3'      FAG   5  -8.352   0.408  -1.809
   63    H8A  FAG   5           H8A      FAG   5  -4.219   0.913   3.504
   64    H9   FAG   5           H9       FAG   5  -1.604   1.405   3.588
   65    HO9  FAG   5           HO9      FAG   5  -2.874   1.816   5.379
   66    H9A  FAG   5           H9A      FAG   5  -2.013   4.134   3.223
   67    H6A  FAG   5           H6A      FAG   5  -4.072   4.377   2.204
   68    H5B  FAG   5           H5       FAG   5  -2.058   3.744  -1.772
   69    HM1  FAG   5           HA1      FAG   5  -0.749   3.939  -3.707
   70    HM2  FAG   5           HA2      FAG   5  -0.023   2.306  -3.461
   71    HM3  FAG   5           HA3      FAG   5   0.951   3.633  -4.116
   72    H5'   DT   6           H5'       DT   6  -7.278  -2.493  -6.749
   73   H5''   DT   6          H5''       DT   6  -6.580  -2.854  -5.173
   74    H4'   DT   6           H4'       DT   6  -5.110  -1.137  -7.250
   75    H3'   DT   6           H3'       DT   6  -5.781  -3.752  -7.662
   76    H2'   DT   6           H2'       DT   6  -5.169  -4.510  -5.432
   77   H2''   DT   6          H2''       DT   6  -3.723  -4.937  -6.385
   78    H1'   DT   6           H1'       DT   6  -2.567  -2.964  -5.860
   79    H3    DT   6           H3        DT   6  -0.820  -3.255  -1.720
   80    H71   DT   6           H71       DT   6  -6.206  -4.111  -1.294
   81    H72   DT   6           H72       DT   6  -5.057  -5.042  -0.291
   82    H73   DT   6           H73       DT   6  -5.350  -3.315  -0.003
   83    H6    DT   6           H6        DT   6  -5.306  -3.655  -3.407
   84    H5'   DT   7           H5'       DT   7  -1.063  -3.136  -8.314
   85   H5''   DT   7          H5''       DT   7  -0.558  -4.141  -9.685
   86    H4'   DT   7           H4'       DT   7   1.189  -4.043  -7.928
   87    H3'   DT   7           H3'       DT   7   0.074  -6.273  -9.269
   88    H2'   DT   7           H2'       DT   7  -1.140  -6.996  -7.353
   89   H2''   DT   7          H2''       DT   7   0.375  -7.916  -7.063
   90    H1'   DT   7           H1'       DT   7   1.351  -6.065  -5.801
   91    H3    DT   7           H3        DT   7   0.034  -6.539  -1.504
   92    H71   DT   7           H71       DT   7  -4.178  -8.103  -3.283
   93    H72   DT   7           H72       DT   7  -4.315  -7.082  -4.740
   94    H73   DT   7           H73       DT   7  -4.555  -6.386  -3.131
   95    H6    DT   7           H6        DT   7  -2.321  -6.574  -5.721
   96    H5'   DT   8           H5'       DT   8   3.961  -6.435  -6.664
   97   H5''   DT   8          H5''       DT   8   5.202  -7.463  -7.359
   98    H4'   DT   8           H4'       DT   8   5.284  -7.269  -4.868
   99    H3'   DT   8           H3'       DT   8   5.548  -9.501  -6.562
  100    H2'   DT   8           H2'       DT   8   3.379 -10.417  -5.997
  101   H2''   DT   8          H2''       DT   8   4.442 -11.197  -4.764
  102    H1'   DT   8           H1'       DT   8   4.108  -9.474  -3.193
  103    H3    DT   8           H3        DT   8   0.297 -10.108  -0.930
  104    H71   DT   8           H71       DT   8  -0.986  -9.822  -6.219
  105    H72   DT   8           H72       DT   8  -2.157  -9.373  -4.988
  106    H73   DT   8           H73       DT   8  -1.753 -11.085  -5.210
  107    H6    DT   8           H6        DT   8   1.220  -9.660  -5.632
  108    H5'   DC   9           H5'       DC   9   7.049  -9.973  -1.893
  109   H5''   DC   9          H5''       DC   9   8.481 -11.016  -1.973
  110    H4'   DC   9           H4'       DC   9   7.316 -11.426   0.139
  111    H3'   DC   9           H3'       DC   9   8.229 -13.286  -1.754
  112    H2'   DC   9           H2'       DC   9   6.104 -13.671  -2.692
  113   H2''   DC   9          H2''       DC   9   6.139 -14.984  -1.505
  114    H1'   DC   9           H1'       DC   9   5.125 -13.608   0.236
  115    H41   DC   9           H41       DC   9  -0.295 -13.226  -3.673
  116    H42   DC   9           H42       DC   9  -0.749 -13.470  -1.970
  117    H5    DC   9           H5        DC   9   2.054 -12.843  -4.236
  118    H6    DC   9           H6        DC   9   4.325 -12.811  -3.328
  119    H5'   DA  10           H5'       DA  10   8.166 -17.769   1.098
  120   H5''   DA  10          H5''       DA  10   7.101 -18.131  -0.273
  121    H4'   DA  10           H4'       DA  10   6.619 -16.067   1.984
  122    H3'   DA  10           H3'       DA  10   6.490 -18.892   1.852
  123   HO3'   DA  10          H3T        DA  10   6.082 -17.755   3.827
  124    H2'   DA  10           H2'       DA  10   4.908 -18.879   0.047
  125   H2''   DA  10          H2''       DA  10   3.831 -19.037   1.499
  126    H1'   DA  10           H1'       DA  10   3.620 -16.656   1.723
  127    H8    DA  10           H8        DA  10   4.255 -17.219  -2.044
  128    H61   DA  10           2H6       DA  10  -0.629 -16.714  -3.399
  129    H62   DA  10           1H6       DA  10  -1.998 -16.380  -2.333
  130    H2    DA  10           H2        DA  10  -0.898 -16.572   1.769
  131    H5'   DT  11           H5'       DT  11  -8.714 -18.968   4.000
  132   H5''   DT  11          H5''       DT  11  -9.503 -17.710   4.918
  133    H4'   DT  11           H4'       DT  11  -7.037 -17.589   5.143
  134    H3'   DT  11           H3'       DT  11  -9.002 -15.564   4.487
  135    H2'   DT  11           H2'       DT  11  -8.205 -15.327   2.259
  136   H2''   DT  11          H2''       DT  11  -7.179 -14.114   3.069
  137    H1'   DT  11           H1'       DT  11  -5.437 -15.779   3.544
  138    H3    DT  11           H3        DT  11  -2.768 -16.070  -0.048
  139    H71   DT  11           H71       DT  11  -6.797 -15.182  -2.643
  140    H72   DT  11           H72       DT  11  -7.948 -16.197  -1.792
  141    H73   DT  11           H73       DT  11  -6.650 -16.951  -2.763
  142    H6    DT  11           H6        DT  11  -7.538 -16.236   0.483
  143   HO5'   DT  11          H5T        DT  11 -10.416 -17.979   2.844
  144    H5'   DG  12           H5'       DG  12  -6.353 -12.419   8.324
  145   H5''   DG  12          H5''       DG  12  -6.656 -12.646   6.584
  146    H4'   DG  12           H4'       DG  12  -3.959 -13.174   7.918
  147    H3'   DG  12           H3'       DG  12  -5.297 -10.742   7.628
  148    H2'   DG  12           H2'       DG  12  -5.671 -11.217   5.195
  149   H2''   DG  12          H2''       DG  12  -4.303 -10.070   5.197
  150    H1'   DG  12           H1'       DG  12  -2.691 -11.934   5.425
  151    H8    DG  12           H8        DG  12  -5.676 -12.026   3.017
  152    H1    DG  12           1H        DG  12   0.056 -13.477   0.448
  153    H21   DG  12           H21       DG  12   1.020 -13.548   3.789
  154    H22   DG  12           H22       DG  12   1.509 -13.759   2.104
  155    H5'   DA  13           H5'       DA  13  -0.959 -12.285   8.418
  156   H5''   DA  13          H5''       DA  13  -0.093 -11.685   9.814
  157    H4'   DA  13           H4'       DA  13   1.539 -12.062   8.207
  158    H3'   DA  13           H3'       DA  13   1.119  -9.641   9.375
  159    H2'   DA  13           H2'       DA  13  -0.148  -8.719   7.499
  160   H2''   DA  13          H2''       DA  13   1.506  -8.134   7.079
  161    H1'   DA  13           H1'       DA  13   1.967 -10.007   5.693
  162    H8    DA  13           H8        DA  13  -1.722  -8.886   5.979
  163    H61   DA  13           2H6       DA  13  -2.817  -9.442   1.154
  164    H62   DA  13           1H6       DA  13  -1.809  -9.892  -0.214
  165    H2    DA  13           H2        DA  13   2.212 -10.719   1.237
  166    H5'   DA  14           H5'       DA  14   4.896 -10.245   6.525
  167   H5''   DA  14          H5''       DA  14   6.271  -9.303   7.050
  168    H4'   DA  14           H4'       DA  14   6.237  -9.469   4.578
  169    H3'   DA  14           H3'       DA  14   6.624  -7.220   6.250
  170    H2'   DA  14           H2'       DA  14   4.400  -6.364   5.766
  171   H2''   DA  14          H2''       DA  14   5.326  -5.502   4.489
  172    H1'   DA  14           H1'       DA  14   5.031  -7.339   2.936
  173    H8    DA  14           H8        DA  14   2.184  -6.542   5.476
  174    H61   DA  14           2H6       DA  14  -1.449  -6.278   2.114
  175    H62   DA  14           1H6       DA  14  -1.432  -6.541   0.359
  176    H2    DA  14           H2        DA  14   2.648  -7.332  -0.886
  177    H5'   DA  15           H5'       DA  15   7.674  -7.177   1.570
  178   H5''   DA  15          H5''       DA  15   9.207  -6.354   1.488
  179    H4'   DA  15           H4'       DA  15   8.074  -6.173  -0.660
  180    H3'   DA  15           H3'       DA  15   9.210  -4.109   0.847
  181    H2'   DA  15           H2'       DA  15   7.108  -3.221   1.624
  182   H2''   DA  15          H2''       DA  15   7.280  -2.288   0.112
  183    H1'   DA  15           H1'       DA  15   5.984  -3.846  -1.173
  184    H8    DA  15           H8        DA  15   5.213  -3.960   2.607
  185    H61   DA  15           2H6       DA  15   0.362  -3.361   2.230
  186    H62   DA  15           1H6       DA  15  -0.724  -3.350   0.836
  187    H2    DA  15           H2        DA  15   1.759  -3.294  -2.780
  188    H5'   DC  16           H5'       DC  16   7.896  -2.846  -3.517
  189   H5''   DC  16          H5''       DC  16   8.836  -1.489  -4.151
  190    H4'   DC  16           H4'       DC  16   6.362  -1.239  -4.586
  191    H3'   DC  16           H3'       DC  16   8.311   0.609  -3.552
  192    H2'   DC  16           H2'       DC  16   7.321   0.699  -1.413
  193   H2''   DC  16          H2''       DC  16   6.357   1.963  -2.227
  194    H1'   DC  16           H1'       DC  16   4.711   0.392  -3.001
  195    H41   DC  16           H41       DC  16   3.010  -0.291   3.393
  196    H42   DC  16           H42       DC  16   1.576  -0.227   2.381
  197    H5    DC  16           H5        DC  16   5.246  -0.361   2.353
  198    H6    DC  16           H6        DC  16   6.457  -0.174   0.215
  199    H5'   DT  17           H5'       DT  17   6.480   3.752  -7.831
  200   H5''   DT  17          H5''       DT  17   6.337   4.002  -6.076
  201    H4'   DT  17           H4'       DT  17   3.843   3.270  -7.732
  202    H3'   DT  17           H3'       DT  17   5.481   5.379  -8.478
  203    H2'   DT  17           H2'       DT  17   5.670   6.197  -6.198
  204   H2''   DT  17          H2''       DT  17   4.401   7.261  -6.886
  205    H1'   DT  17           H1'       DT  17   2.632   5.832  -6.201
  206    H3    DT  17           H3        DT  17   1.466   7.022  -2.033
  207    H71   DT  17           H71       DT  17   5.845   6.300  -0.523
  208    H72   DT  17           H72       DT  17   6.814   6.126  -2.029
  209    H73   DT  17           H73       DT  17   6.329   7.730  -1.446
  210    H6    DT  17           H6        DT  17   5.662   5.728  -3.993
  211    H5'   DT  18           H5'       DT  18   0.773   6.068  -8.645
  212   H5''   DT  18          H5''       DT  18   0.331   6.852 -10.169
  213    H4'   DT  18           H4'       DT  18  -1.279   7.427  -8.454
  214    H3'   DT  18           H3'       DT  18   0.170   9.203 -10.101
  215    H2'   DT  18           H2'       DT  18   1.691   9.818  -8.238
  216   H2''   DT  18          H2''       DT  18   0.484  11.129  -8.173
  217    H1'   DT  18           H1'       DT  18  -0.958   9.774  -6.685
  218    H3    DT  18           H3        DT  18   0.511  11.136  -2.648
  219    H71   DT  18           H71       DT  18   4.759   9.161  -3.582
  220    H72   DT  18           H72       DT  18   5.014  10.609  -4.522
  221    H73   DT  18           H73       DT  18   4.782   9.069  -5.361
  222    H6    DT  18           H6        DT  18   2.704   9.071  -6.406
  223    H5'   DA  19           H5'       DA  19  -4.120  10.233  -8.341
  224   H5''   DA  19          H5''       DA  19  -4.949  11.329  -9.441
  225    H4'   DA  19           H4'       DA  19  -5.760  11.328  -7.077
  226    H3'   DA  19           H3'       DA  19  -5.514  13.390  -8.906
  227    H2'   DA  19           H2'       DA  19  -3.345  14.128  -8.149
  228   H2''   DA  19          H2''       DA  19  -4.373  15.204  -7.178
  229    H1'   DA  19           H1'       DA  19  -4.456  13.802  -5.321
  230    H8    DA  19           H8        DA  19  -1.318  13.611  -7.610
  231    H61   DA  19           2H6       DA  19   2.060  14.025  -3.887
  232    H62   DA  19           1H6       DA  19   1.772  14.116  -2.161
  233    H2    DA  19           H2        DA  19  -2.448  14.083  -1.285
  234    H5'   DG  20           H5'       DG  20  -7.303  14.438  -4.621
  235   H5''   DG  20          H5''       DG  20  -8.515  15.679  -4.775
  236    H4'   DG  20           H4'       DG  20  -7.303  15.981  -2.641
  237    H3'   DG  20           H3'       DG  20  -7.820  17.878  -4.699
  238   HO3'   DG  20          H3T        DG  20  -8.489  18.350  -2.619
  239    H2'   DG  20           H2'       DG  20  -5.452  17.945  -5.340
  240   H2''   DG  20          H2''       DG  20  -5.536  19.271  -4.128
  241    H1'   DG  20           H1'       DG  20  -5.079  17.693  -2.311
  242    H8    DG  20           H8        DG  20  -3.278  17.197  -5.709
  243    H1    DG  20           1H        DG  20   0.566  17.491  -0.549
  244    H21   DG  20           H21       DG  20  -2.419  17.568   1.198
  245    H22   DG  20           H22       DG  20  -0.654  17.584   1.249