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
574323 2miv 19695 cing 1-original 1 AMBER distance NOE simple


#
#   7  DC  H2'2     7  DC  H3'     2.00   2.27  
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 254, r1= 1.50, r2= 2.00, r3= 2.27, r4= 2.77, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  14  DT  M7      13  DG  H1'     3.24   5.10  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 2.74, r2= 3.24, r3= 6.12, r4= 6.62,
 igr1= 465, 466, 467,
 &end
#
#  17  DG  H8       6  DBP HB6     3.60   5.83  
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 207, r1= 3.10, r2= 3.60, r3= 5.83, r4= 6.33,  &end
#
#   1  DC5 H1'      1  DC5 H4'     3.02   3.59  
 &rst
  ixpk= 0, nxpk= 0, iat=  10,   7, r1= 2.52, r2= 3.02, r3= 3.59, r4= 4.09,  &end
#
#   1  DC5 H3'      1  DC5 H6      3.99   6.99  
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  13, r1= 3.49, r2= 3.99, r3= 6.99, r4= 7.49,  &end
#
#   1  DC5 H2'1     1  DC5 H4'     3.74   5.99  
 &rst
  ixpk= 0, nxpk= 0, iat=  26,   7, r1= 3.24, r2= 3.74, r3= 5.99, r4= 6.49,  &end
#
#   1  DC5 H2'1     1  DC5 H1'     2.33   2.42  
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  10, r1= 1.83, r2= 2.33, r3= 2.42, r4= 2.92,  &end
#
#   1  DC5 H2'1     1  DC5 H6      3.42   6.81  
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 2.92, r2= 3.42, r3= 6.81, r4= 7.31,  &end
#
#   1  DC5 H2'2     1  DC5 H1'     2.76   3.06  
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  10, r1= 2.26, r2= 2.76, r3= 3.06, r4= 3.56,  &end
#
#   1  DC5 H2'2     1  DC5 H6      2.23   2.31  
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 1.73, r2= 2.23, r3= 2.31, r4= 2.81,  &end
#
#   1  DC5 H2'2     1  DC5 H3'     1.90   2.46  
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  24, r1= 1.40, r2= 1.90, r3= 2.46, r4= 2.96,  &end
#
#   2  DC  H6       1  DC5 H1'     2.69   3.69  
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  10, r1= 2.19, r2= 2.69, r3= 3.69, r4= 4.19,  &end
#
#   2  DC  H6       1  DC5 H2'1    2.22   2.29  
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  26, r1= 1.72, r2= 2.22, r3= 2.29, r4= 2.79,  &end
#
#   2  DC  H6       2  DC  H1'     3.50   5.73  
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  40, r1= 3.00, r2= 3.50, r3= 5.73, r4= 6.23,  &end
#
#   2  DC  H5       1  DC5 H6      3.53   4.26  
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  13, r1= 3.03, r2= 3.53, r3= 4.26, r4= 4.76,  &end
#
#   2  DC  H2'1     2  DC  H1'     2.42   2.50  
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  40, r1= 1.92, r2= 2.42, r3= 2.50, r4= 3.00,  &end
#
#   2  DC  H2'2     2  DC  H6      2.35   2.42  
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  43, r1= 1.85, r2= 2.35, r3= 2.42, r4= 2.92,  &end
#
#   3  DA  H8       2  DC  H1'     4.02   4.39  
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  40, r1= 3.52, r2= 4.02, r3= 4.39, r4= 4.89,  &end
#
#   3  DA  H8       2  DC  H2'1    2.34   2.72  
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  56, r1= 1.84, r2= 2.34, r3= 2.72, r4= 3.22,  &end
#
#   3  DA  H8       3  DA  H1'     3.46   3.88  
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  70, r1= 2.96, r2= 3.46, r3= 3.88, r4= 4.38,  &end
#
#   3  DA  H2       3  DA  H1'     3.70   4.91  
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  70, r1= 3.20, r2= 3.70, r3= 4.91, r4= 5.41,  &end
#
#   3  DA  H3'      3  DA  H1'     3.74   4.03  
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  70, r1= 3.24, r2= 3.74, r3= 4.03, r4= 4.53,  &end
#
#   3  DA  H3'      3  DA  H8      4.25   4.77  
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  73, r1= 3.75, r2= 4.25, r3= 4.77, r4= 5.27,  &end
#
#   3  DA  H2'1     3  DA  H4'     3.69   4.10  
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  67, r1= 3.19, r2= 3.69, r3= 4.10, r4= 4.60,  &end
#
#   3  DA  H2'1     3  DA  H1'     2.39   3.14  
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  70, r1= 1.89, r2= 2.39, r3= 3.14, r4= 3.64,  &end
#
#   3  DA  H2'1     3  DA  H8      3.15   6.77  
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  73, r1= 2.65, r2= 3.15, r3= 6.77, r4= 7.27,  &end
#
#   3  DA  H2'1     3  DA  H3'     2.79   3.07  
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  86, r1= 2.29, r2= 2.79, r3= 3.07, r4= 3.57,  &end
#
#   3  DA  H2'2     3  DA  H4'     3.53   5.83  
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  67, r1= 3.03, r2= 3.53, r3= 5.83, r4= 6.33,  &end
#
#   3  DA  H2'2     3  DA  H1'     2.83   3.14  
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  70, r1= 2.33, r2= 2.83, r3= 3.14, r4= 3.64,  &end
#
#   3  DA  H2'2     3  DA  H8      2.39   2.59  
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  73, r1= 1.89, r2= 2.39, r3= 2.59, r4= 3.09,  &end
#
#   3  DA  H2'2     3  DA  H3'     2.29   2.43  
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  86, r1= 1.79, r2= 2.29, r3= 2.43, r4= 2.93,  &end
#
#   4  DT  H6       3  DA  H1'     3.59   3.96  
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  70, r1= 3.09, r2= 3.59, r3= 3.96, r4= 4.46,  &end
#
#   4  DT  H6       3  DA  H2'1    2.36   2.48  
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  88, r1= 1.86, r2= 2.36, r3= 2.48, r4= 2.98,  &end
#
#   4  DT  H6       3  DA  H2'2    3.22   3.69  
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  89, r1= 2.72, r2= 3.22, r3= 3.69, r4= 4.19,  &end
#
#   4  DT  M7       3  DA  H8      3.81   7.23  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  73, r1= 3.31, r2= 3.81, r3= 8.68, r4= 9.18,
 igr1= 108, 109, 110,
 &end
#
#   4  DT  M7       3  DA  H2'1    3.79   4.16  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 3.29, r2= 3.79, r3= 5.00, r4= 5.50,
 igr1= 108, 109, 110,
 &end
#
#   4  DT  M7       3  DA  H2'2    3.58   6.03  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 3.08, r2= 3.58, r3= 7.24, r4= 7.74,
 igr1= 108, 109, 110,
 &end
#
#   4  DT  H2'1     4  DT  H1'     2.40   2.51  
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 102, r1= 1.90, r2= 2.40, r3= 2.51, r4= 3.01,  &end
#
#   4  DT  H2'1     4  DT  H6      3.76   6.78  
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 105, r1= 3.26, r2= 3.76, r3= 6.78, r4= 7.28,  &end
#
#   4  DT  H2'2     4  DT  H6      2.37   5.26  
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 105, r1= 1.87, r2= 2.37, r3= 5.26, r4= 5.76,  &end
#
#   5  DC  H6       4  DT  H2'1    2.44   2.60  
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 120, r1= 1.94, r2= 2.44, r3= 2.60, r4= 3.10,  &end
#
#   5  DC  H6       4  DT  H2'2    2.85   3.09  
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 121, r1= 2.35, r2= 2.85, r3= 3.09, r4= 3.59,  &end
#
#   5  DC  H5       4  DT  H6      3.13   3.90  
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 105, r1= 2.63, r2= 3.13, r3= 3.90, r4= 4.40,  &end
#
#   5  DC  H5       4  DT  M7      3.57   4.19  
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 3.07, r2= 3.57, r3= 5.03, r4= 5.53,
 igr2= 108, 109, 110,
 &end
#
#   5  DC  H3'      5  DC  H4'     2.90   3.31  
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 131, r1= 2.40, r2= 2.90, r3= 3.31, r4= 3.81,  &end
#
#   5  DC  H2'1     5  DC  H1'     2.41   2.53  
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 134, r1= 1.91, r2= 2.41, r3= 2.53, r4= 3.03,  &end
#
#   5  DC  H2'1     5  DC  H6      3.03   3.54  
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 137, r1= 2.53, r2= 3.03, r3= 3.54, r4= 4.04,  &end
#
#   5  DC  H2'1     5  DC  H3'     2.56   2.86  
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 148, r1= 2.06, r2= 2.56, r3= 2.86, r4= 3.36,  &end
#
#   5  DC  H2'2     5  DC  H1'     2.91   3.29  
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 134, r1= 2.41, r2= 2.91, r3= 3.29, r4= 3.79,  &end
#
#   5  DC  H2'2     5  DC  H6      2.11   2.22  
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 137, r1= 1.61, r2= 2.11, r3= 2.22, r4= 2.72,  &end
#
#   5  DC  H2'2     5  DC  H3'     2.28   2.38  
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 148, r1= 1.78, r2= 2.28, r3= 2.38, r4= 2.88,  &end
#
#   6  DBP H3'      6  DBP H4'     1.78   3.12  
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 161, r1= 1.28, r2= 1.78, r3= 3.12, r4= 3.62,  &end
#
#   6  DBP H2'1     6  DBP H3'     2.63   2.86  
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 224, r1= 2.13, r2= 2.63, r3= 2.86, r4= 3.36,  &end
#
#   6  DBP H2'2     6  DBP H3'     2.12   2.27  
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 224, r1= 1.62, r2= 2.12, r3= 2.27, r4= 2.77,  &end
#
#   6  DBP H1'      6  DBP H4'     1.92   2.86  
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 161, r1= 1.42, r2= 1.92, r3= 2.86, r4= 3.36,  &end
#
#   6  DBP H1'      6  DBP H2'1    2.33   2.42  
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 226, r1= 1.83, r2= 2.33, r3= 2.42, r4= 2.92,  &end
#
#   6  DBP H8       6  DBP H3'     4.12   4.58  
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 224, r1= 3.62, r2= 4.12, r3= 4.58, r4= 5.08,  &end
#
#   6  DBP H8       6  DBP H2'1    3.60   6.58  
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 226, r1= 3.10, r2= 3.60, r3= 6.58, r4= 7.08,  &end
#
#   6  DBP H8       6  DBP H2'2    2.28   2.36  
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 227, r1= 1.78, r2= 2.28, r3= 2.36, r4= 2.86,  &end
#
#   6  DBP HB14     6  DBP H1'     3.59   4.55  
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 164, r1= 3.09, r2= 3.59, r3= 4.55, r4= 5.05,  &end
#
#   6  DBP HB13     6  DBP HB14    1.98   2.50  
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 180, r1= 1.48, r2= 1.98, r3= 2.50, r4= 3.00,  &end
#
#   6  DBP HB11     6  DBP HB12    1.99   2.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 186, r1= 1.49, r2= 1.99, r3= 2.85, r4= 3.35,  &end
#
#   6  DBP HB10     6  DBP HB11    1.85   2.36  
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 190, r1= 1.35, r2= 1.85, r3= 2.36, r4= 2.86,  &end
#
#   6  DBP HB9      6  DBP HB10    1.96   2.38  
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 195, r1= 1.46, r2= 1.96, r3= 2.38, r4= 2.88,  &end
#
#   6  DBP HB8      6  DBP HB9     2.14   2.47  
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 199, r1= 1.64, r2= 2.14, r3= 2.47, r4= 2.97,  &end
#
#   6  DBP HB7      6  DBP HB8     2.32   2.40  
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 201, r1= 1.82, r2= 2.32, r3= 2.40, r4= 2.90,  &end
#
#   6  DBP HB6      6  DBP HB7     2.42   2.50  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 205, r1= 1.92, r2= 2.42, r3= 2.50, r4= 3.00,  &end
#
#   6  DBP HB5      6  DBP HB6     1.98   2.40  
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 207, r1= 1.48, r2= 1.98, r3= 2.40, r4= 2.90,  &end
#
#   6  DBP HB4      6  DBP HB6     3.64   5.67  
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 207, r1= 3.14, r2= 3.64, r3= 5.67, r4= 6.17,  &end
#
#   6  DBP HB4      6  DBP HB5     1.94   2.02  
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 209, r1= 1.44, r2= 1.94, r3= 2.02, r4= 2.52,  &end
#
#   6  DBP HB3      5  DC  H1'     3.64   6.60  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 134, r1= 3.14, r2= 3.64, r3= 6.60, r4= 7.10,  &end
#
#   6  DBP HB3      6  DBP H4'     3.63   4.73  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 161, r1= 3.13, r2= 3.63, r3= 4.73, r4= 5.23,  &end
#
#   6  DBP HB3      6  DBP HB4     2.36   2.44  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 213, r1= 1.86, r2= 2.36, r3= 2.44, r4= 2.94,  &end
#
#   6  DBP HB2      5  DC  H1'     1.77   2.68  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 134, r1= 1.27, r2= 1.77, r3= 2.68, r4= 3.18,  &end
#
#   6  DBP HB2      5  DC  H6      3.69   6.49  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 137, r1= 3.19, r2= 3.69, r3= 6.49, r4= 6.99,  &end
#
#   6  DBP HB2      5  DC  H2'1    2.19   2.29  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 150, r1= 1.69, r2= 2.19, r3= 2.29, r4= 2.79,  &end
#
#   6  DBP HB2      6  DBP H4'     3.21   3.72  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 161, r1= 2.71, r2= 3.21, r3= 3.72, r4= 4.22,  &end
#
#   6  DBP HB2      6  DBP H1'     3.20   3.31  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 164, r1= 2.70, r2= 3.20, r3= 3.31, r4= 3.81,  &end
#
#   6  DBP HB2      6  DBP HB14    3.60   6.83  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 180, r1= 3.10, r2= 3.60, r3= 6.83, r4= 7.33,  &end
#
#   6  DBP HB2      6  DBP HB4     3.88   4.28  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 213, r1= 3.38, r2= 3.88, r3= 4.28, r4= 4.78,  &end
#
#   6  DBP HB2      6  DBP HB3     2.43   2.51  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 215, r1= 1.93, r2= 2.43, r3= 2.51, r4= 3.01,  &end
#
#   6  DBP HB1      6  DBP HB14    1.99   2.08  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 180, r1= 1.49, r2= 1.99, r3= 2.08, r4= 2.58,  &end
#
#   6  DBP HB1      6  DBP HB13    3.49   6.93  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 182, r1= 2.99, r2= 3.49, r3= 6.93, r4= 7.43,  &end
#
#   6  DBP HB1      6  DBP HB2     2.36   2.46  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 217, r1= 1.86, r2= 2.36, r3= 2.46, r4= 2.96,  &end
#
#   7  DC  H1'      6  DBP HB4     3.05   4.09  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 213, r1= 2.55, r2= 3.05, r3= 4.09, r4= 4.59,  &end
#
#   7  DC  H1'      7  DC  H4'     3.13   3.61  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 237, r1= 2.63, r2= 3.13, r3= 3.61, r4= 4.11,  &end
#
#   7  DC  H6       6  DBP H4'     2.81   3.37  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 161, r1= 2.31, r2= 2.81, r3= 3.37, r4= 3.87,  &end
#
#   7  DC  H6       6  DBP HB3     3.32   4.13  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 215, r1= 2.82, r2= 3.32, r3= 4.13, r4= 4.63,  &end
#
#   7  DC  H6       6  DBP HB2     3.38   3.49  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 217, r1= 2.88, r2= 3.38, r3= 3.49, r4= 3.99,  &end
#
#   7  DC  H6       7  DC  H1'     3.49   4.28  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 240, r1= 2.99, r2= 3.49, r3= 4.28, r4= 4.78,  &end
#
#   7  DC  H5       6  DBP H1'     2.98   3.06  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 164, r1= 2.48, r2= 2.98, r3= 3.06, r4= 3.56,  &end
#
#   7  DC  H5       6  DBP HB14    3.00   3.11  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 180, r1= 2.50, r2= 3.00, r3= 3.11, r4= 3.61,  &end
#
#   7  DC  H5       6  DBP HB1     3.62   4.24  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 219, r1= 3.12, r2= 3.62, r3= 4.24, r4= 4.74,  &end
#
#   7  DC  H3'      7  DC  H6      3.65   6.71  
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 243, r1= 3.15, r2= 3.65, r3= 6.71, r4= 7.21,  &end
#
#   7  DC  H2'1     7  DC  H4'     3.99   4.39  
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 237, r1= 3.49, r2= 3.99, r3= 4.39, r4= 4.89,  &end
#
#   7  DC  H2'1     7  DC  H1'     2.35   2.69  
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 240, r1= 1.85, r2= 2.35, r3= 2.69, r4= 3.19,  &end
#
#   7  DC  H2'1     7  DC  H3'     2.70   2.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 254, r1= 2.20, r2= 2.70, r3= 2.95, r4= 3.45,  &end
#
#   7  DC  H2'2     7  DC  H4'     3.27   5.29  
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 237, r1= 2.77, r2= 3.27, r3= 5.29, r4= 5.79,  &end
#
#   7  DC  H2'2     7  DC  H1'     2.79   3.07  
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 240, r1= 2.29, r2= 2.79, r3= 3.07, r4= 3.57,  &end
#
#   7  DC  H2'2     7  DC  H6      2.80   3.31  
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 243, r1= 2.30, r2= 2.80, r3= 3.31, r4= 3.81,  &end
#
#   8  DT  H6       8  DT  H1'     3.33   3.98  
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 270, r1= 2.83, r2= 3.33, r3= 3.98, r4= 4.48,  &end
#
#   8  DT  M7       7  DC  H6      4.57   7.98  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 4.07, r2= 4.57, r3= 9.58, r4=10.08,
 igr1= 276, 277, 278,
 &end
#
#   8  DT  M7       7  DC  H5      4.32   5.00  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 3.82, r2= 4.32, r3= 6.00, r4= 6.50,
 igr1= 276, 277, 278,
 &end
#
#   8  DT  M7       7  DC  H3'     5.06   5.47  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 4.56, r2= 5.06, r3= 6.57, r4= 7.07,
 igr1= 276, 277, 278,
 &end
#
#   8  DT  M7       7  DC  H2'1    4.04   4.54  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 3.54, r2= 4.04, r3= 5.45, r4= 5.95,
 igr1= 276, 277, 278,
 &end
#
#   8  DT  M7       7  DC  H2'2    3.37   3.48  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 2.87, r2= 3.37, r3= 4.18, r4= 4.68,
 igr1= 276, 277, 278,
 &end
#
#   8  DT  H2'1     8  DT  H1'     2.38   2.67  
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 270, r1= 1.88, r2= 2.38, r3= 2.67, r4= 3.17,  &end
#
#   8  DT  H2'2     8  DT  H1'     2.84   3.30  
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 270, r1= 2.34, r2= 2.84, r3= 3.30, r4= 3.80,  &end
#
#   8  DT  H2'2     8  DT  H6      2.42   2.83  
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 273, r1= 1.92, r2= 2.42, r3= 2.83, r4= 3.33,  &end
#
#   9  DA  H1'      9  DA  H4'     2.19   2.81  
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 299, r1= 1.69, r2= 2.19, r3= 2.81, r4= 3.31,  &end
#
#   9  DA  H8       8  DT  H1'     3.57   6.93  
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 270, r1= 3.07, r2= 3.57, r3= 6.93, r4= 7.43,  &end
#
#   9  DA  H8       8  DT  H6      3.94   4.22  
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 273, r1= 3.44, r2= 3.94, r3= 4.22, r4= 4.72,  &end
#
#   9  DA  H8       8  DT  H2'1    2.79   3.05  
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 288, r1= 2.29, r2= 2.79, r3= 3.05, r4= 3.55,  &end
#
#   9  DA  H8       8  DT  H2'2    2.88   3.11  
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 289, r1= 2.38, r2= 2.88, r3= 3.11, r4= 3.61,  &end
#
#   9  DA  H8       9  DA  H1'     3.59   4.08  
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 302, r1= 3.09, r2= 3.59, r3= 4.08, r4= 4.58,  &end
#
#   9  DA  H3'      9  DA  H1'     2.40   3.94  
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 302, r1= 1.90, r2= 2.40, r3= 3.94, r4= 4.44,  &end
#
#   9  DA  H3'      9  DA  H8      4.45   5.04  
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 305, r1= 3.95, r2= 4.45, r3= 5.04, r4= 5.54,  &end
#
#   9  DA  H2'1     9  DA  H4'     3.61   3.91  
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 299, r1= 3.11, r2= 3.61, r3= 3.91, r4= 4.41,  &end
#
#   9  DA  H2'1     9  DA  H1'     2.39   2.78  
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 302, r1= 1.89, r2= 2.39, r3= 2.78, r4= 3.28,  &end
#
#   9  DA  H2'1     9  DA  H8      2.98   3.41  
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 305, r1= 2.48, r2= 2.98, r3= 3.41, r4= 3.91,  &end
#
#   9  DA  H2'1     9  DA  H3'     2.64   2.91  
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 318, r1= 2.14, r2= 2.64, r3= 2.91, r4= 3.41,  &end
#
#   9  DA  H2'2     9  DA  H4'     3.71   4.05  
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 299, r1= 3.21, r2= 3.71, r3= 4.05, r4= 4.55,  &end
#
#   9  DA  H2'2     9  DA  H1'     2.99   3.34  
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 302, r1= 2.49, r2= 2.99, r3= 3.34, r4= 3.84,  &end
#
#   9  DA  H2'2     9  DA  H8      2.22   2.66  
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 305, r1= 1.72, r2= 2.22, r3= 2.66, r4= 3.16,  &end
#
#   9  DA  H2'2     9  DA  H3'     2.23   2.34  
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 318, r1= 1.73, r2= 2.23, r3= 2.34, r4= 2.84,  &end
#
#  10  DC  H1'     10  DC  H4'     3.34   3.98  
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 331, r1= 2.84, r2= 3.34, r3= 3.98, r4= 4.48,  &end
#
#  10  DC  H6       9  DA  H1'     2.90   3.14  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 302, r1= 2.40, r2= 2.90, r3= 3.14, r4= 3.64,  &end
#
#  10  DC  H6       9  DA  H8      4.31   6.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 305, r1= 3.81, r2= 4.31, r3= 6.85, r4= 7.35,  &end
#
#  10  DC  H6       9  DA  H2'1    2.84   5.69  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 320, r1= 2.34, r2= 2.84, r3= 5.69, r4= 6.19,  &end
#
#  10  DC  H6       9  DA  H2'2    3.48   6.71  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 321, r1= 2.98, r2= 3.48, r3= 6.71, r4= 7.21,  &end
#
#  10  DC  H6      10  DC  H1'     3.33   4.43  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 334, r1= 2.83, r2= 3.33, r3= 4.43, r4= 4.93,  &end
#
#  10  DC  H5       9  DA  H8      3.98   6.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 305, r1= 3.48, r2= 3.98, r3= 6.95, r4= 7.45,  &end
#
#  10  DC  H2'1    10  DC  H4'     3.08   4.18  
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 331, r1= 2.58, r2= 3.08, r3= 4.18, r4= 4.68,  &end
#
#  10  DC  H2'1    10  DC  H1'     2.39   2.49  
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 334, r1= 1.89, r2= 2.39, r3= 2.49, r4= 2.99,  &end
#
#  10  DC  H2'1    10  DC  H6      3.16   6.90  
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 337, r1= 2.66, r2= 3.16, r3= 6.90, r4= 7.40,  &end
#
#  10  DC  H2'2    10  DC  H4'     2.89   4.09  
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 331, r1= 2.39, r2= 2.89, r3= 4.09, r4= 4.59,  &end
#
#  10  DC  H2'2    10  DC  H1'     2.81   3.10  
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 334, r1= 2.31, r2= 2.81, r3= 3.10, r4= 3.60,  &end
#
#  10  DC  H2'2    10  DC  H6      2.46   2.75  
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 337, r1= 1.96, r2= 2.46, r3= 2.75, r4= 3.25,  &end
#
#  11  DC3 H1'     11  DC3 H4'     2.77   2.84  
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 361, r1= 2.27, r2= 2.77, r3= 2.84, r4= 3.34,  &end
#
#  11  DC3 H6      10  DC  H1'     3.70   6.55  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 334, r1= 3.20, r2= 3.70, r3= 6.55, r4= 7.05,  &end
#
#  11  DC3 H6      11  DC3 H1'     3.31   4.56  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 364, r1= 2.81, r2= 3.31, r3= 4.56, r4= 5.06,  &end
#
#  11  DC3 H3'     11  DC3 H1'     3.05   3.88  
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 364, r1= 2.55, r2= 3.05, r3= 3.88, r4= 4.38,  &end
#
#  11  DC3 H2'1    11  DC3 H1'     2.42   2.54  
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 364, r1= 1.92, r2= 2.42, r3= 2.54, r4= 3.04,  &end
#
#  11  DC3 H2'2    11  DC3 H1'     2.87   3.12  
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 364, r1= 2.37, r2= 2.87, r3= 3.12, r4= 3.62,  &end
#
#  12  DG5 H2'1    12  DG5 H1'     2.39   2.49  
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 393, r1= 1.89, r2= 2.39, r3= 2.49, r4= 2.99,  &end
#
#  12  DG5 H2'2    12  DG5 H1'     3.02   3.31  
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 393, r1= 2.52, r2= 3.02, r3= 3.31, r4= 3.81,  &end
#
#  13  DG  H8      12  DG5 H1'     3.63   3.93  
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 393, r1= 3.13, r2= 3.63, r3= 3.93, r4= 4.43,  &end
#
#  13  DG  H2'1    13  DG  H8      3.44   6.51  
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 429, r1= 2.94, r2= 3.44, r3= 6.51, r4= 7.01,  &end
#
#  13  DG  H2'2    13  DG  H1'     2.95   5.65  
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 426, r1= 2.45, r2= 2.95, r3= 5.65, r4= 6.15,  &end
#
#  13  DG  H2'2    13  DG  H8      2.62   2.73  
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 429, r1= 2.12, r2= 2.62, r3= 2.73, r4= 3.23,  &end
#
#  14  DT  H6      13  DG  H1'     4.13   4.59  
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 426, r1= 3.63, r2= 4.13, r3= 4.59, r4= 5.09,  &end
#
#  14  DT  H6      13  DG  H2'1    2.57   2.71  
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 445, r1= 2.07, r2= 2.57, r3= 2.71, r4= 3.21,  &end
#
#  14  DT  H6      13  DG  H2'2    2.99   5.62  
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 446, r1= 2.49, r2= 2.99, r3= 5.62, r4= 6.12,  &end
#
#  14  DT  M7      13  DG  H8      3.77   4.56  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 3.27, r2= 3.77, r3= 5.48, r4= 5.98,
 igr1= 465, 466, 467,
 &end
#
#  14  DT  M7      13  DG  H2'1    3.58   7.92  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 3.08, r2= 3.58, r3= 9.51, r4=10.01,
 igr1= 465, 466, 467,
 &end
#
#  14  DT  M7      13  DG  H2'2    3.56   4.04  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 3.06, r2= 3.56, r3= 4.85, r4= 5.35,
 igr1= 465, 466, 467,
 &end
#
#  14  DT  H2'1    14  DT  H1'     2.41   2.72  
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 459, r1= 1.91, r2= 2.41, r3= 2.72, r4= 3.22,  &end
#
#  14  DT  H2'1    14  DT  H6      2.67   3.09  
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 462, r1= 2.17, r2= 2.67, r3= 3.09, r4= 3.59,  &end
#
#  14  DT  H2'2    14  DT  H6      2.06   2.46  
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 462, r1= 1.56, r2= 2.06, r3= 2.46, r4= 2.96,  &end
#
#  15  DA  H8      14  DT  H2'1    2.76   3.23  
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 477, r1= 2.26, r2= 2.76, r3= 3.23, r4= 3.73,  &end
#
#  15  DA  H8      14  DT  H2'2    3.71   6.93  
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 478, r1= 3.21, r2= 3.71, r3= 6.93, r4= 7.43,  &end
#
#  15  DA  H8      15  DA  H1'     3.40   3.88  
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 491, r1= 2.90, r2= 3.40, r3= 3.88, r4= 4.38,  &end
#
#  15  DA  H3'     15  DA  H1'     3.77   4.17  
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 491, r1= 3.27, r2= 3.77, r3= 4.17, r4= 4.67,  &end
#
#  15  DA  H2'1    15  DA  H4'     2.52   3.20  
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 488, r1= 2.02, r2= 2.52, r3= 3.20, r4= 3.70,  &end
#
#  15  DA  H2'1    15  DA  H1'     2.27   2.36  
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 491, r1= 1.77, r2= 2.27, r3= 2.36, r4= 2.86,  &end
#
#  15  DA  H2'1    15  DA  H8      4.45   4.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 494, r1= 3.95, r2= 4.45, r3= 4.95, r4= 5.45,  &end
#
#  15  DA  H2'1    15  DA  H3'     2.97   3.25  
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 507, r1= 2.47, r2= 2.97, r3= 3.25, r4= 3.75,  &end
#
#  15  DA  H2'2    15  DA  H1'     2.78   3.12  
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 491, r1= 2.28, r2= 2.78, r3= 3.12, r4= 3.62,  &end
#
#  15  DA  H2'2    15  DA  H8      4.02   4.34  
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 494, r1= 3.52, r2= 4.02, r3= 4.34, r4= 4.84,  &end
#
#  15  DA  H2'2    15  DA  H3'     2.26   2.36  
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 507, r1= 1.76, r2= 2.26, r3= 2.36, r4= 2.86,  &end
#
#  16  DG  H1'      6  DBP HB7     3.65   6.38  
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 205, r1= 3.15, r2= 3.65, r3= 6.38, r4= 6.88,  &end
#
#  16  DG  H8       6  DBP HB8     3.45   3.54  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 201, r1= 2.95, r2= 3.45, r3= 3.54, r4= 4.04,  &end
#
#  16  DG  H8      15  DA  H1'     4.33   6.98  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 491, r1= 3.83, r2= 4.33, r3= 6.98, r4= 7.48,  &end
#
#  16  DG  H8      15  DA  H8      3.90   5.70  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 494, r1= 3.40, r2= 3.90, r3= 5.70, r4= 6.20,  &end
#
#  16  DG  H8      15  DA  H2'1    3.89   6.73  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 509, r1= 3.39, r2= 3.89, r3= 6.73, r4= 7.23,  &end
#
#  16  DG  H8      16  DG  H1'     3.71   4.71  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 523, r1= 3.21, r2= 3.71, r3= 4.71, r4= 5.21,  &end
#
#  16  DG  H3'     16  DG  H1'     3.70   4.00  
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 523, r1= 3.20, r2= 3.70, r3= 4.00, r4= 4.50,  &end
#
#  16  DG  H2'1     6  DBP HB7     2.65   2.92  
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 205, r1= 2.15, r2= 2.65, r3= 2.92, r4= 3.42,  &end
#
#  16  DG  H2'1    16  DG  H1'     2.26   2.37  
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 523, r1= 1.76, r2= 2.26, r3= 2.37, r4= 2.87,  &end
#
#  16  DG  H2'2    16  DG  H8      2.85   2.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 526, r1= 2.35, r2= 2.85, r3= 2.95, r4= 3.45,  &end
#
#  17  DG  H8       6  DBP HB7     4.03   6.82  
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 205, r1= 3.53, r2= 4.03, r3= 6.82, r4= 7.32,  &end
#
#  17  DG  H2'1    17  DG  H8      3.97   6.76  
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 559, r1= 3.47, r2= 3.97, r3= 6.76, r4= 7.26,  &end
#
#  17  DG  H2'2    17  DG  H8      2.70   3.23  
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 559, r1= 2.20, r2= 2.70, r3= 3.23, r4= 3.73,  &end
#
#  18  DA  H1'     18  DA  H4'     2.27   2.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 586, r1= 1.77, r2= 2.27, r3= 2.85, r4= 3.35,  &end
#
#  18  DA  H8      17  DG  H1'     3.93   6.79  
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 556, r1= 3.43, r2= 3.93, r3= 6.79, r4= 7.29,  &end
#
#  18  DA  H8      18  DA  H1'     3.67   6.77  
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 589, r1= 3.17, r2= 3.67, r3= 6.77, r4= 7.27,  &end
#
#  18  DA  H3'     18  DA  H8      3.86   4.32  
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 592, r1= 3.36, r2= 3.86, r3= 4.32, r4= 4.82,  &end
#
#  18  DA  H2'1    18  DA  H8      3.17   6.12  
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 592, r1= 2.67, r2= 3.17, r3= 6.12, r4= 6.62,  &end
#
#  18  DA  H2'1    18  DA  H3'     2.83   5.18  
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 605, r1= 2.33, r2= 2.83, r3= 5.18, r4= 5.68,  &end
#
#  18  DA  H2'2    18  DA  H8      2.45   3.30  
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 592, r1= 1.95, r2= 2.45, r3= 3.30, r4= 3.80,  &end
#
#  19  DT  H1'     19  DT  H4'     2.17   2.63  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 618, r1= 1.67, r2= 2.17, r3= 2.63, r4= 3.13,  &end
#
#  19  DT  H6      18  DA  H1'     3.94   6.86  
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 589, r1= 3.44, r2= 3.94, r3= 6.86, r4= 7.36,  &end
#
#  19  DT  H6      18  DA  H2'1    2.66   2.86  
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 607, r1= 2.16, r2= 2.66, r3= 2.86, r4= 3.36,  &end
#
#  19  DT  H6      18  DA  H2'2    3.17   5.21  
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 608, r1= 2.67, r2= 3.17, r3= 5.21, r4= 5.71,  &end
#
#  19  DT  H6      19  DT  H1'     3.69   3.94  
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 621, r1= 3.19, r2= 3.69, r3= 3.94, r4= 4.44,  &end
#
#  19  DT  M7      18  DA  H8      3.61   4.32  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 3.11, r2= 3.61, r3= 5.19, r4= 5.69,
 igr1= 627, 628, 629,
 &end
#
#  19  DT  M7      18  DA  H2'1    3.79   7.08  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 607, r1= 3.29, r2= 3.79, r3= 8.50, r4= 9.00,
 igr1= 627, 628, 629,
 &end
#
#  19  DT  M7      18  DA  H2'2    3.85   4.13  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 608, r1= 3.35, r2= 3.85, r3= 4.96, r4= 5.46,
 igr1= 627, 628, 629,
 &end
#
#  19  DT  H3'     19  DT  H4'     2.97   3.87  
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 618, r1= 2.47, r2= 2.97, r3= 3.87, r4= 4.37,  &end
#
#  19  DT  H2'1    19  DT  H1'     2.33   2.40  
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 621, r1= 1.83, r2= 2.33, r3= 2.40, r4= 2.90,  &end
#
#  19  DT  H2'1    19  DT  H6      3.37   6.50  
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 624, r1= 2.87, r2= 3.37, r3= 6.50, r4= 7.00,  &end
#
#  19  DT  H2'2    19  DT  H6      2.55   3.31  
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 624, r1= 2.05, r2= 2.55, r3= 3.31, r4= 3.81,  &end
#
#  20  DG  H8      19  DT  H1'     3.78   4.25  
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 621, r1= 3.28, r2= 3.78, r3= 4.25, r4= 4.75,  &end
#
#  20  DG  H8      19  DT  H2'1    2.23   2.42  
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 639, r1= 1.73, r2= 2.23, r3= 2.42, r4= 2.92,  &end
#
#  20  DG  H8      19  DT  H2'2    2.50   4.05  
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 640, r1= 2.00, r2= 2.50, r3= 4.05, r4= 4.55,  &end
#
#  20  DG  H2'1    20  DG  H8      3.56   6.90  
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 656, r1= 3.06, r2= 3.56, r3= 6.90, r4= 7.40,  &end
#
#  20  DG  H2'2    20  DG  H1'     3.05   3.34  
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 653, r1= 2.55, r2= 3.05, r3= 3.34, r4= 3.84,  &end
#
#  20  DG  H2'2    20  DG  H8      2.41   2.52  
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 656, r1= 1.91, r2= 2.41, r3= 2.52, r4= 3.02,  &end
#
#  21  DG3 H1'     21  DG3 H4'     2.95   3.42  
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 683, r1= 2.45, r2= 2.95, r3= 3.42, r4= 3.92,  &end
#
#  21  DG3 H8      20  DG  H1'     3.37   6.27  
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 653, r1= 2.87, r2= 3.37, r3= 6.27, r4= 6.77,  &end
#
#  21  DG3 H8      21  DG3 H1'     3.39   4.27  
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 686, r1= 2.89, r2= 3.39, r3= 4.27, r4= 4.77,  &end
#
#  21  DG3 H3'     21  DG3 H8      3.90   6.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 689, r1= 3.40, r2= 3.90, r3= 6.85, r4= 7.35,  &end
#
#  21  DG3 H2'1    21  DG3 H1'     2.36   2.45  
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 686, r1= 1.86, r2= 2.36, r3= 2.45, r4= 2.95,  &end
#
#  21  DG3 H2'2    21  DG3 H1'     2.81   3.09  
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 686, r1= 2.31, r2= 2.81, r3= 3.09, r4= 3.59,  &end
#
#  21  DG3 H2'2    21  DG3 H8      2.64   2.72  
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 689, r1= 2.14, r2= 2.64, r3= 2.72, r4= 3.22,  &end
#
#  21  DG3 H2'2    21  DG3 H3'     2.31   2.39  
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 703, r1= 1.81, r2= 2.31, r3= 2.39, r4= 2.89,  &end
#
#   1  DC5 H6       1  DC5 H1'     3.55   7.00  
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 3.05, r2= 3.55, r3= 7.00, r4= 7.50,  &end
#
#   1  DC5 H2'2     1  DC5 H4'     3.35   5.96  
 &rst
  ixpk= 0, nxpk= 0, iat=  27,   7, r1= 2.85, r2= 3.35, r3= 5.96, r4= 6.46,  &end
#
#   2  DC  H2'1     2  DC  H5      3.73   6.85  
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  45, r1= 3.23, r2= 3.73, r3= 6.85, r4= 7.35,  &end
#
#   2  DC  H2'2     2  DC  H1'     2.86   3.21  
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  40, r1= 2.36, r2= 2.86, r3= 3.21, r4= 3.71,  &end
#
#   2  DC  H2'2     2  DC  H5      3.39   6.62  
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  45, r1= 2.89, r2= 3.39, r3= 6.62, r4= 7.12,  &end
#
#   3  DA  H8       2  DC  H6      4.46   5.17  
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  43, r1= 3.96, r2= 4.46, r3= 5.17, r4= 5.67,  &end
#
#   3  DA  H8       2  DC  H2'2    2.96   3.37  
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  57, r1= 2.46, r2= 2.96, r3= 3.37, r4= 3.87,  &end
#
#   3  DA  H8       3  DA  H4'     4.54   6.40  
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  67, r1= 4.04, r2= 4.54, r3= 6.40, r4= 6.90,  &end
#
#   4  DT  H6       3  DA  H4'     4.13   6.93  
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  67, r1= 3.63, r2= 4.13, r3= 6.93, r4= 7.43,  &end
#
#   4  DT  H6       3  DA  H8      4.88   6.98  
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  73, r1= 4.38, r2= 4.88, r3= 6.98, r4= 7.48,  &end
#
#   4  DT  M7       3  DA  H1'     4.86   7.53  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 4.36, r2= 4.86, r3= 9.04, r4= 9.54,
 igr1= 108, 109, 110,
 &end
#
#   4  DT  M7       3  DA  H3'     5.91   7.94  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 5.41, r2= 5.91, r3= 9.54, r4=10.04,
 igr1= 108, 109, 110,
 &end
#
#   4  DT  H2'2     4  DT  H1'     2.91   3.17  
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 102, r1= 2.41, r2= 2.91, r3= 3.17, r4= 3.67,  &end
#
#   5  DC  H6       4  DT  H1'     4.17   4.57  
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 102, r1= 3.67, r2= 4.17, r3= 4.57, r4= 5.07,  &end
#
#   5  DC  H6       4  DT  M7      5.08   7.96  
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 4.58, r2= 5.08, r3= 9.56, r4=10.06,
 igr2= 108, 109, 110,
 &end
#
#   5  DC  H6       5  DC  H1'     3.64   6.53  
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 134, r1= 3.14, r2= 3.64, r3= 6.53, r4= 7.03,  &end
#
#   5  DC  H5       4  DT  H2'2    3.25   3.75  
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 121, r1= 2.75, r2= 3.25, r3= 3.75, r4= 4.25,  &end
#
#   6  DBP H2'2     6  DBP H4'     2.69   3.96  
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 161, r1= 2.19, r2= 2.69, r3= 3.96, r4= 4.46,  &end
#
#   6  DBP H1'      6  DBP H3'     2.74   3.97  
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 224, r1= 2.24, r2= 2.74, r3= 3.97, r4= 4.47,  &end
#
#   6  DBP H1'      6  DBP H2'2    2.82   3.13  
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 227, r1= 2.32, r2= 2.82, r3= 3.13, r4= 3.63,  &end
#
#   6  DBP H8       5  DC  H2'1    4.75   6.46  
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 150, r1= 4.25, r2= 4.75, r3= 6.46, r4= 6.96,  &end
#
#   6  DBP H8       6  DBP H1'     3.80   4.13  
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 164, r1= 3.30, r2= 3.80, r3= 4.13, r4= 4.63,  &end
#
#   6  DBP HB12     6  DBP HB14    3.68   4.12  
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 180, r1= 3.18, r2= 3.68, r3= 4.12, r4= 4.62,  &end
#
#   6  DBP HB10     6  DBP HB12    4.38   6.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 186, r1= 3.88, r2= 4.38, r3= 6.85, r4= 7.35,  &end
#
#   6  DBP HB9      6  DBP HB11    4.20   6.81  
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 190, r1= 3.70, r2= 4.20, r3= 6.81, r4= 7.31,  &end
#
#   6  DBP HB8      6  DBP HB10    4.13   6.83  
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 195, r1= 3.63, r2= 4.13, r3= 6.83, r4= 7.33,  &end
#
#   6  DBP HB7      6  DBP HB9     3.94   6.50  
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 199, r1= 3.44, r2= 3.94, r3= 6.50, r4= 7.00,  &end
#
#   6  DBP HB6      6  DBP HB8     4.38   4.89  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 201, r1= 3.88, r2= 4.38, r3= 4.89, r4= 5.39,  &end
#
#   6  DBP HB5      6  DBP HB7     3.62   5.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 205, r1= 3.12, r2= 3.62, r3= 5.95, r4= 6.45,  &end
#
#   6  DBP HB3      5  DC  H4'     5.29   6.91  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 131, r1= 4.79, r2= 5.29, r3= 6.91, r4= 7.41,  &end
#
#   6  DBP HB3      5  DC  H2'1    3.77   6.94  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 150, r1= 3.27, r2= 3.77, r3= 6.94, r4= 7.44,  &end
#
#   6  DBP HB2      5  DC  H2'2    3.91   6.88  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 151, r1= 3.41, r2= 3.91, r3= 6.88, r4= 7.38,  &end
#
#   6  DBP HB1      5  DC  H1'     2.18   3.59  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 134, r1= 1.68, r2= 2.18, r3= 3.59, r4= 4.09,  &end
#
#   6  DBP HB1      5  DC  H6      2.23   4.14  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 137, r1= 1.73, r2= 2.23, r3= 4.14, r4= 4.64,  &end
#
#   6  DBP HB1      5  DC  H5      4.34   6.96  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 139, r1= 3.84, r2= 4.34, r3= 6.96, r4= 7.46,  &end
#
#   6  DBP HB1      6  DBP H1'     3.74   3.96  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 164, r1= 3.24, r2= 3.74, r3= 3.96, r4= 4.46,  &end
#
#   6  DBP HB1      6  DBP HB4     4.72   5.20  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 213, r1= 4.22, r2= 4.72, r3= 5.20, r4= 5.70,  &end
#
#   6  DBP HB1      6  DBP HB3     3.74   6.03  
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 215, r1= 3.24, r2= 3.74, r3= 6.03, r4= 6.53,  &end
#
#   7  DC  H4'      6  DBP HB3     3.43   4.48  
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 215, r1= 2.93, r2= 3.43, r3= 4.48, r4= 4.98,  &end
#
#   7  DC  H6       6  DBP H1'     2.89   3.49  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 164, r1= 2.39, r2= 2.89, r3= 3.49, r4= 3.99,  &end
#
#   7  DC  H6       7  DC  H4'     4.05   5.93  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 237, r1= 3.55, r2= 4.05, r3= 5.93, r4= 6.43,  &end
#
#   7  DC  H5       6  DBP H4'     3.68   4.48  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 161, r1= 3.18, r2= 3.68, r3= 4.48, r4= 4.98,  &end
#
#   7  DC  H5       6  DBP H2'1    3.81   6.38  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 226, r1= 3.31, r2= 3.81, r3= 6.38, r4= 6.88,  &end
#
#   7  DC  H5       6  DBP HB2     3.84   4.04  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 217, r1= 3.34, r2= 3.84, r3= 4.04, r4= 4.54,  &end
#
#   7  DC  H3'      7  DC  H1'     3.77   4.25  
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 240, r1= 3.27, r2= 3.77, r3= 4.25, r4= 4.75,  &end
#
#   8  DT  H6       7  DC  H1'     3.90   6.74  
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 240, r1= 3.40, r2= 3.90, r3= 6.74, r4= 7.24,  &end
#
#   8  DT  M7       7  DC  H4'     5.08   7.99  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 4.58, r2= 5.08, r3= 9.60, r4=10.10,
 igr1= 276, 277, 278,
 &end
#
#   8  DT  M7       7  DC  H1'     4.92   7.98  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 4.42, r2= 4.92, r3= 9.58, r4=10.08,
 igr1= 276, 277, 278,
 &end
#
#   8  DT  H3'      8  DT  H1'     3.52   3.88  
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 270, r1= 3.02, r2= 3.52, r3= 3.88, r4= 4.38,  &end
#
#   9  DA  H8       9  DA  H4'     4.31   5.98  
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 299, r1= 3.81, r2= 4.31, r3= 5.98, r4= 6.48,  &end
#
#   9  DA  H2       9  DA  H1'     4.50   5.08  
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 302, r1= 4.00, r2= 4.50, r3= 5.08, r4= 5.58,  &end
#
#  10  DC  H6       9  DA  H3'     4.68   5.24  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 318, r1= 4.18, r2= 4.68, r3= 5.24, r4= 5.74,  &end
#
#  10  DC  H5       9  DA  H1'     2.61   3.66  
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 302, r1= 2.11, r2= 2.61, r3= 3.66, r4= 4.16,  &end
#
#  10  DC  H2'2    10  DC  H5      3.81   6.97  
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 339, r1= 3.31, r2= 3.81, r3= 6.97, r4= 7.47,  &end
#
#  11  DC3 H5      10  DC  H6      3.70   4.70  
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 337, r1= 3.20, r2= 3.70, r3= 4.70, r4= 5.20,  &end
#
#  13  DG  H8      13  DG  H1'     3.40   5.38  
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 426, r1= 2.90, r2= 3.40, r3= 5.38, r4= 5.88,  &end
#
#  14  DT  H6      13  DG  H8      4.03   6.78  
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 429, r1= 3.53, r2= 4.03, r3= 6.78, r4= 7.28,  &end
#
#  14  DT  H2'2    14  DT  H1'     2.96   3.28  
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 459, r1= 2.46, r2= 2.96, r3= 3.28, r4= 3.78,  &end
#
#  15  DA  H2      15  DA  H1'     4.50   6.05  
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 491, r1= 4.00, r2= 4.50, r3= 6.05, r4= 6.55,  &end
#
#  15  DA  H3'     15  DA  H8      3.45   4.35  
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 494, r1= 2.95, r2= 3.45, r3= 4.35, r4= 4.85,  &end
#
#  16  DG  H8       6  DBP HB9     3.93   5.06  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 199, r1= 3.43, r2= 3.93, r3= 5.06, r4= 5.56,  &end
#
#  16  DG  H8       6  DBP HB7     4.28   4.54  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 205, r1= 3.78, r2= 4.28, r3= 4.54, r4= 5.04,  &end
#
#  16  DG  H8      15  DA  H3'     3.00   3.57  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 507, r1= 2.50, r2= 3.00, r3= 3.57, r4= 4.07,  &end
#
#  16  DG  H2'1     6  DBP HB8     3.88   4.48  
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 201, r1= 3.38, r2= 3.88, r3= 4.48, r4= 4.98,  &end
#
#  16  DG  H2'2     6  DBP HB8     2.71   2.84  
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 201, r1= 2.21, r2= 2.71, r3= 2.84, r4= 3.34,  &end
#
#  16  DG  H2'2     6  DBP HB7     2.42   2.59  
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 205, r1= 1.92, r2= 2.42, r3= 2.59, r4= 3.09,  &end
#
#  16  DG  H2'2    16  DG  H1'     2.85   5.01  
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 523, r1= 2.35, r2= 2.85, r3= 5.01, r4= 5.51,  &end
#
#  17  DG  H8       6  DBP HB8     3.75   4.33  
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 201, r1= 3.25, r2= 3.75, r3= 4.33, r4= 4.83,  &end
#
#  17  DG  H8      17  DG  H1'     3.74   5.72  
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 556, r1= 3.24, r2= 3.74, r3= 5.72, r4= 6.22,  &end
#
#  17  DG  H3'     17  DG  H8      4.14   6.61  
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 559, r1= 3.64, r2= 4.14, r3= 6.61, r4= 7.11,  &end
#
#  18  DA  H8      17  DG  H8      4.39   6.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 559, r1= 3.89, r2= 4.39, r3= 6.85, r4= 7.35,  &end
#
#  18  DA  H3'     18  DA  H1'     3.77   4.09  
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 589, r1= 3.27, r2= 3.77, r3= 4.09, r4= 4.59,  &end
#
#  18  DA  H2'1    18  DA  H4'     3.51   3.84  
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 586, r1= 3.01, r2= 3.51, r3= 3.84, r4= 4.34,  &end
#
#  18  DA  H2'2    18  DA  H4'     3.64   3.94  
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 586, r1= 3.14, r2= 3.64, r3= 3.94, r4= 4.44,  &end
#
#  19  DT  H1'      3  DA  H2      4.77   5.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  82, r1= 4.27, r2= 4.77, r3= 5.95, r4= 6.45,  &end
#
#  19  DT  H6      18  DA  H8      4.50   6.88  
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 592, r1= 4.00, r2= 4.50, r3= 6.88, r4= 7.38,  &end
#
#  19  DT  H6      18  DA  H3'     5.00   6.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 605, r1= 4.50, r2= 5.00, r3= 6.85, r4= 7.35,  &end
#
#  19  DT  M7      18  DA  H1'     4.94   6.87  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 4.44, r2= 4.94, r3= 8.25, r4= 8.75,
 igr1= 627, 628, 629,
 &end
#
#  19  DT  M7      18  DA  H3'     5.49   7.99  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 4.99, r2= 5.49, r3= 9.60, r4=10.10,
 igr1= 627, 628, 629,
 &end
#
#  19  DT  H2'2    19  DT  H1'     2.84   3.30  
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 621, r1= 2.34, r2= 2.84, r3= 3.30, r4= 3.80,  &end
#
#  20  DG  H2'1    20  DG  H1'     2.37   2.47  
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 653, r1= 1.87, r2= 2.37, r3= 2.47, r4= 2.97,  &end
#
#  21  DG3 H3'     21  DG3 H1'     3.05   4.04  
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 686, r1= 2.55, r2= 3.05, r3= 4.04, r4= 4.54,  &end
#
#   5  DC  H6       4  DT  H6      3.91   4.52  
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 105, r1= 3.41, r2= 3.91, r3= 4.52, r4= 5.02,  &end
#
#   6  DBP HB3      6  DBP H1'     5.08   5.46  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 164, r1= 4.58, r2= 5.08, r3= 5.46, r4= 5.96,  &end
#
#  13  DG  H2'1    13  DG  H1'     2.42   2.60  
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 426, r1= 1.92, r2= 2.42, r3= 2.60, r4= 3.10,  &end
#
#  16  DG  H1'      6  DBP HB8     4.99   6.94  
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 201, r1= 4.49, r2= 4.99, r3= 6.94, r4= 7.44,  &end
#
#   1  DC5 H3'      1  DC5 H1'     2.95   4.11  
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  10, r1= 2.45, r2= 2.95, r3= 4.11, r4= 4.61,  &end
#
#   2  DC  H5       1  DC5 H1'     4.55   6.60  
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  10, r1= 4.05, r2= 4.55, r3= 6.60, r4= 7.10,  &end
#
#   2  DC  H3'      2  DC  H5      4.60   6.97  
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  45, r1= 4.10, r2= 4.60, r3= 6.97, r4= 7.47,  &end
#
#   4  DT  H6       3  DA  H3'     4.57   5.52  
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  86, r1= 4.07, r2= 4.57, r3= 5.52, r4= 6.02,  &end
#
#   4  DT  M7       4  DT  H1'     5.85   6.33  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 5.35, r2= 5.85, r3= 7.60, r4= 8.10,
 igr1= 108, 109, 110,
 &end
#
#   5  DC  H6       5  DC  H4'     4.89   6.93  
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 131, r1= 4.39, r2= 4.89, r3= 6.93, r4= 7.43,  &end
#
#   5  DC  H5       4  DT  H2'1    3.54   4.26  
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 120, r1= 3.04, r2= 3.54, r3= 4.26, r4= 4.76,  &end
#
#   5  DC  H2'1     5  DC  H5      4.42   6.90  
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 139, r1= 3.92, r2= 4.42, r3= 6.90, r4= 7.40,  &end
#
#   5  DC  H2'2     5  DC  H5      4.20   6.97  
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 139, r1= 3.70, r2= 4.20, r3= 6.97, r4= 7.47,  &end
#
#   6  DBP H2'1     6  DBP H4'     3.68   4.14  
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 161, r1= 3.18, r2= 3.68, r3= 4.14, r4= 4.64,  &end
#
#   6  DBP H1'      6  DBP H5'2    4.62   5.08  
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 159, r1= 4.12, r2= 4.62, r3= 5.08, r4= 5.58,  &end
#
#   6  DBP HB3      5  DC  H2'2    5.18   6.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 151, r1= 4.68, r2= 5.18, r3= 6.95, r4= 7.45,  &end
#
#   6  DBP HB3      6  DBP HB14    5.33   6.92  
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 180, r1= 4.83, r2= 5.33, r3= 6.92, r4= 7.42,  &end
#
#   6  DBP HB2      5  DC  H4'     4.25   4.79  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 131, r1= 3.75, r2= 4.25, r3= 4.79, r4= 5.29,  &end
#
#   7  DC  H1'      6  DBP HB2     4.29   6.05  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 217, r1= 3.79, r2= 4.29, r3= 6.05, r4= 6.55,  &end
#
#   7  DC  H6       6  DBP H3'     4.57   6.73  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 224, r1= 4.07, r2= 4.57, r3= 6.73, r4= 7.23,  &end
#
#   7  DC  H6       6  DBP H2'1    4.02   4.34  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 226, r1= 3.52, r2= 4.02, r3= 4.34, r4= 4.84,  &end
#
#   7  DC  H6       6  DBP HB14    4.76   5.21  
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 180, r1= 4.26, r2= 4.76, r3= 5.21, r4= 5.71,  &end
#
#   7  DC  H5       6  DBP HB3     4.74   5.13  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 215, r1= 4.24, r2= 4.74, r3= 5.13, r4= 5.63,  &end
#
#   7  DC  H2'1     7  DC  H6      4.24   4.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 243, r1= 3.74, r2= 4.24, r3= 4.85, r4= 5.35,  &end
#
#   8  DT  M7       8  DT  H1'     5.90   6.42  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 270, r1= 5.40, r2= 5.90, r3= 7.71, r4= 8.21,
 igr1= 276, 277, 278,
 &end
#
#  11  DC3 H6      10  DC  H6      4.51   6.76  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 337, r1= 4.01, r2= 4.51, r3= 6.76, r4= 7.26,  &end
#
#  13  DG  H3'     13  DG  H1'     3.76   4.21  
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 426, r1= 3.26, r2= 3.76, r3= 4.21, r4= 4.71,  &end
#
#  15  DA  H8      14  DT  M7      3.47   5.64  
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 2.97, r2= 3.47, r3= 6.77, r4= 7.27,
 igr2= 465, 466, 467,
 &end
#
#  15  DA  H8      15  DA  H4'     4.34   5.73  
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 488, r1= 3.84, r2= 4.34, r3= 5.73, r4= 6.23,  &end
#
#  16  DG  H8      16  DG  H4'     3.96   5.08  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 520, r1= 3.46, r2= 3.96, r3= 5.08, r4= 5.58,  &end
#
#  18  DA  H8      18  DA  H4'     4.52   5.18  
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 586, r1= 4.02, r2= 4.52, r3= 5.18, r4= 5.68,  &end
#
#  19  DT  M7      19  DT  H1'     6.16   8.00  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 5.66, r2= 6.16, r3= 9.61, r4=10.11,
 igr1= 627, 628, 629,
 &end
#
#  19  DT  H3'     19  DT  H1'     3.55   3.94  
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 621, r1= 3.05, r2= 3.55, r3= 3.94, r4= 4.44,  &end
#
#   5  DC  H2'2     5  DC  H4'     3.70   4.96  
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 131, r1= 3.20, r2= 3.70, r3= 4.96, r4= 5.46,  &end
#
#   6  DBP HB12     6  DBP HB13    2.25   2.35  
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 182, r1= 1.75, r2= 2.25, r3= 2.35, r4= 2.85,  &end
#
#   6  DBP HB11     6  DBP HB13    4.18   4.64  
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 182, r1= 3.68, r2= 4.18, r3= 4.64, r4= 5.14,  &end
#
#   7  DC  H5       6  DBP H2'2    4.62   7.00  
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 227, r1= 4.12, r2= 4.62, r3= 7.00, r4= 7.50,  &end
#
#  10  DC  H1'      9  DA  H1'     4.32   5.43  
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 302, r1= 3.82, r2= 4.32, r3= 5.43, r4= 5.93,  &end
#
#  11  DC3 H5      10  DC  H5      3.72   4.80  
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 339, r1= 3.22, r2= 3.72, r3= 4.80, r4= 5.30,  &end
#
#  17  DG  H3'     17  DG  H1'     3.78   3.99  
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 556, r1= 3.28, r2= 3.78, r3= 3.99, r4= 4.49,  &end
#
#  18  DA  H2       4  DT  H1'     4.64   5.15  
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 102, r1= 4.14, r2= 4.64, r3= 5.15, r4= 5.65,  &end
#
#  18  DA  H2      18  DA  H1'     4.17   4.59  
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 589, r1= 3.67, r2= 4.17, r3= 4.59, r4= 5.09,  &end
#
#   2  DC  H5       1  DC5 H5      4.06   4.24  
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  15, r1= 3.56, r2= 4.06, r3= 4.24, r4= 4.74,  &end
#
#  16  DG  H8       6  DBP HB6     5.22   6.41  
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 207, r1= 4.72, r2= 5.22, r3= 6.41, r4= 6.91,  &end
#
#   4  DT  H3       3  DA  H2      3.75   3.84  
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  82, r1= 3.25, r2= 3.75, r3= 3.84, r4= 4.34,  &end
#
#  13  DG  H1       9  DA  H2      3.16   3.27  
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 314, r1= 2.66, r2= 3.16, r3= 3.27, r4= 3.77,  &end
#
#  13  DG  H1      10  DC  H5      5.02   6.35  
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 339, r1= 4.52, r2= 5.02, r3= 6.35, r4= 6.85,  &end
#
#  13  DG  H1      10  DC  H41     3.93   4.37  
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 342, r1= 3.43, r2= 3.93, r3= 4.37, r4= 4.87,  &end
#
#  13  DG  H1      10  DC  H42     2.74   2.82  
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 343, r1= 2.24, r2= 2.74, r3= 2.82, r4= 3.32,  &end
#
#  14  DT  H3       9  DA  H2      2.77   2.82  
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 314, r1= 2.27, r2= 2.77, r3= 2.82, r4= 3.32,  &end
#
#  14  DT  H3      13  DG  H1      3.43   3.64  
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 435, r1= 2.93, r2= 3.43, r3= 3.64, r4= 4.14,  &end
#
#  15  DA  H2       8  DT  H3      2.80   2.85  
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 282, r1= 2.30, r2= 2.80, r3= 2.85, r4= 3.35,  &end
#
#  16  DG  H1       6  DBP HB14    5.65   6.02  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 180, r1= 5.15, r2= 5.65, r3= 6.02, r4= 6.52,  &end
#
#  16  DG  H1       6  DBP HB5     3.78   4.02  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 209, r1= 3.28, r2= 3.78, r3= 4.02, r4= 4.52,  &end
#
#  16  DG  H1       6  DBP HB4     4.21   4.81  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 213, r1= 3.71, r2= 4.21, r3= 4.81, r4= 5.31,  &end
#
#  16  DG  H1       7  DC  H5      5.09   5.38  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 245, r1= 4.59, r2= 5.09, r3= 5.38, r4= 5.88,  &end
#
#  16  DG  H1       7  DC  H41     4.23   6.31  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 248, r1= 3.73, r2= 4.23, r3= 6.31, r4= 6.81,  &end
#
#  16  DG  H1       7  DC  H42     2.48   2.69  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 249, r1= 1.98, r2= 2.48, r3= 2.69, r4= 3.19,  &end
#
#  16  DG  H1       8  DT  M7      5.39   5.75  
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 4.89, r2= 5.39, r3= 6.91, r4= 7.41,
 igr2= 276, 277, 278,
 &end
#
#  16  DG  H1       8  DT  H3      3.40   3.49  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 282, r1= 2.90, r2= 3.40, r3= 3.49, r4= 3.99,  &end
#
#  16  DG  H1      15  DA  H2      4.77   5.02  
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 503, r1= 4.27, r2= 4.77, r3= 5.02, r4= 5.52,  &end
#
#  17  DG  H1       4  DT  M7      6.60   7.12  
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 6.10, r2= 6.60, r3= 8.55, r4= 9.05,
 igr2= 108, 109, 110,
 &end
#
#  17  DG  H1       4  DT  H3      3.77   3.90  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 114, r1= 3.27, r2= 3.77, r3= 3.90, r4= 4.40,  &end
#
#  17  DG  H1       5  DC  H5      5.16   6.80  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 139, r1= 4.66, r2= 5.16, r3= 6.80, r4= 7.30,  &end
#
#  17  DG  H1       5  DC  H41     4.22   6.75  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 142, r1= 3.72, r2= 4.22, r3= 6.75, r4= 7.25,  &end
#
#  17  DG  H1       5  DC  H42     2.76   2.84  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 143, r1= 2.26, r2= 2.76, r3= 2.84, r4= 3.34,  &end
#
#  17  DG  H1       6  DBP HB5     5.18   7.00  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 209, r1= 4.68, r2= 5.18, r3= 7.00, r4= 7.50,  &end
#
#  17  DG  H1       6  DBP HB4     5.00   6.99  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 213, r1= 4.50, r2= 5.00, r3= 6.99, r4= 7.49,  &end
#
#  17  DG  H1       6  DBP HB3     5.56   6.92  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 215, r1= 5.06, r2= 5.56, r3= 6.92, r4= 7.42,  &end
#
#  17  DG  H1       6  DBP HB1     4.53   4.66  
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 219, r1= 4.03, r2= 4.53, r3= 4.66, r4= 5.16,  &end
#
#  18  DA  H2       4  DT  H3      2.64   2.72  
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 114, r1= 2.14, r2= 2.64, r3= 2.72, r4= 3.22,  &end
#
#  18  DA  H2      17  DG  H1      4.04   4.31  
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 565, r1= 3.54, r2= 4.04, r3= 4.31, r4= 4.81,  &end
#
#  19  DT  H3       3  DA  H2      2.73   2.79  
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  82, r1= 2.23, r2= 2.73, r3= 2.79, r4= 3.29,  &end
#
#  19  DT  H3       4  DT  H3      3.53   3.81  
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 114, r1= 3.03, r2= 3.53, r3= 3.81, r4= 4.31,  &end
#
#  19  DT  H3      18  DA  H2      3.81   4.24  
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 601, r1= 3.31, r2= 3.81, r3= 4.24, r4= 4.74,  &end
#
#  20  DG  H1       2  DC  H5      5.18   5.48  
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  45, r1= 4.68, r2= 5.18, r3= 5.48, r4= 5.98,  &end
#
#  20  DG  H1       2  DC  H41     3.84   4.29  
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  48, r1= 3.34, r2= 3.84, r3= 4.29, r4= 4.79,  &end
#
#  20  DG  H1       2  DC  H42     2.68   2.77  
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  49, r1= 2.18, r2= 2.68, r3= 2.77, r4= 3.27,  &end
#
#  20  DG  H1       3  DA  H2      4.15   4.44  
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  82, r1= 3.65, r2= 4.15, r3= 4.44, r4= 4.94,  &end
#
#  20  DG  H1      19  DT  H3      4.42   4.67  
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 633, r1= 3.92, r2= 4.42, r3= 4.67, r4= 5.17,  &end
#
#   9  DA  H2       8  DT  H3      4.88   5.04  
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 282, r1= 4.38, r2= 4.88, r3= 5.04, r4= 5.54,  &end
#
#  15  DA  H2      14  DT  H3      4.44   4.83  
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 471, r1= 3.94, r2= 4.44, r3= 4.83, r4= 5.33,  &end
#
#   1  DC5  H42    20  DG3  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 660, 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, 662, 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, 661, 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, 660, 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, 666, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   2  DC   H42    20  DG   O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 660, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   2  DC   N3     20  DG   H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 662, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   2  DC   N3     20  DG   N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 661, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   2  DC   N4     20  DG   O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 660, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   2  DC   O2     20  DG   H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 666, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   3  DA   H61    19  DT   O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 631, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   3  DA   N1     19  DT   H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 633, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   3  DA   N1     19  DT   N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 632, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   4  DT   H3     18  DA   N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 599, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   4  DT   N3     18  DA   N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 599, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   4  DT   O4     18  DA   H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 597, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   5  DC   H42    17  DG   O6      1.80   2.00  
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 563, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5  DC   N3     17  DG   H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 565, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   5  DC   N3     17  DG   N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 564, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   5  DC   N4     17  DG   O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 563, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   5  DC   O2     17  DG   H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 569, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   7  DC   H42    16  DG   O6      1.80   2.00  
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 530, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   7  DC   N3     16  DG   H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 532, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   7  DC   N3     16  DG   N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 531, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   7  DC   N4     16  DG   O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 530, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   7  DC   O2     16  DG   H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 536, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   8  DT   H3     15  DA   N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 501, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   8  DT   N3     15  DA   N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 501, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   8  DT   O4     15  DA   H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 499, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   9  DA   H61    14  DT   O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 469, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   9  DA   N1     14  DT   H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 471, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   9  DA   N1     14  DT   N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 470, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  10  DC   H42    13  DG   O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 433, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  10  DC   N3     13  DG   H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 435, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  10  DC   N3     13  DG   N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 434, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  10  DC   N4     13  DG   O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 433, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  10  DC   O2     13  DG   H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 439, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#  11  DC3  H42    12  DG5  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 400, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11  DC3  N3     12  DG5  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 402, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#  11  DC3  N3     12  DG5  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 401, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  11  DC3  N4     12  DG5  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 400, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  11  DC3  O2     12  DG5  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 406, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end


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