NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
587679 2mmq 19861 cing 1-original 1 AMBER distance NOE simple


#
#   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


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