NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
476093 1bau cing 1-original 1 AMBER distance NOE simple


# distance constraint number   1
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   2
 &rst  iat = 24, 24, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   3
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   4
 &rst  iat = 24, 24, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   5
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   6
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   7
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   8
 &rst  iat = 24, 24, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   9
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  10
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  11
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  12
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  13
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  14
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  15
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  16
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  17
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  18
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  19
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  20
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  21
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  22
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  23
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  24
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  25
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  26
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  27
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  28
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  29
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  30
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  31
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  32
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  33
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  34
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  35
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  36
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  37
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  38
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  39
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  40
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  41
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  42
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  43
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  44
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  45
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  46
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  47
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  48
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  49
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  50
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  51
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  52
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  53
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  54
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  55
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  56
 &rst  iat = 27, 27, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  57
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  58
 &rst  iat = 27, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  59
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  60
 &rst  iat = 27, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  61
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  62
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  63
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  64
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  65
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  66
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  67
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  68
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  69
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  70
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  71
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  72
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  73
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  74
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  75
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  76
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  77
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  78
 &rst  iat = 28, 28, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  79
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''1',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  80
 &rst  iat = 28, 28, iresid = 1, atnam(1)='H2''1',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  81
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  82
 &rst  iat = 28, 28, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  83
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  84
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  85
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  86
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  87
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  88
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  89
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  90
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  91
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  92
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  93
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  94
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  95
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  96
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  97
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  98
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  99
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 100
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 101
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 102
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 103
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 104
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 105
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 106
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 107
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 108
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 109
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 110
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 111
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 112
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 113
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 114
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 115
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 116
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 117
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 118
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 119
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 120
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 121
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 122
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 123
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 124
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 125
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 126
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 127
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 128
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 129
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 130
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 131
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 132
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 133
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 134
 &rst  iat = 30, 30, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 135
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 136
 &rst  iat = 30, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 137
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 138
 &rst  iat = 30, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 139
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 140
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 141
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 142
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 143
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 144
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 145
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 146
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 147
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 148
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 149
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 150
 &rst  iat = 31, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 151
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 152
 &rst  iat = 31, 31, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 153
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 154
 &rst  iat = 32, 32, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 155
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 156
 &rst  iat = 32, 32, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 157
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 158
 &rst  iat = 32, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 159
 &rst  iat =  9, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 160
 &rst  iat = 32, 33, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 161
 &rst  iat =  9, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 162
 &rst  iat = 32, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 163
 &rst  iat =  9, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 164
 &rst  iat = 32, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 165
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 166
 &rst  iat = 33, 33, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 167
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 168
 &rst  iat = 33, 33, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 169
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 170
 &rst  iat = 33, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 171
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 172
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 173
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 174
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 175
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 176
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 177
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 178
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 179
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 180
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 181
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 182
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 183
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 184
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 185
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 186
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 187
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 188
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 189
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 190
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 191
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 192
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 193
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 194
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 195
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 196
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 197
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 198
 &rst  iat = 35, 35, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 199
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 200
 &rst  iat = 35, 35, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 201
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 202
 &rst  iat = 35, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 203
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 204
 &rst  iat = 35, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 205
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 206
 &rst  iat = 35, 36, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 207
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 208
 &rst  iat = 36, 36, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 209
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 210
 &rst  iat = 36, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 211
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 212
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 213
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 214
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 215
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 216
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 217
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 218
 &rst  iat = 37, 37, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 219
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 220
 &rst  iat = 37, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 221
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 222
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 223
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 224
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 225
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 226
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 227
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 228
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 229
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 230
 &rst  iat = 38, 38, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 231
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 232
 &rst  iat = 38, 38, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 233
 &rst  iat = 15, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 234
 &rst  iat = 38, 39, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 235
 &rst  iat = 15, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 236
 &rst  iat = 38, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 237
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 238
 &rst  iat = 39, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 239
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 240
 &rst  iat = 39, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 241
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 242
 &rst  iat = 39, 39, iresid = 1, atnam(1)='H8',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 243
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 244
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 245
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 246
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 247
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 248
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 249
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 250
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 251
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 252
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 253
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 254
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 255
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 256
 &rst  iat = 40, 40, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 257
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 258
 &rst  iat = 40, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 259
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 260
 &rst  iat = 40, 40, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 261
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 262
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 263
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 264
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 265
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 266
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 267
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 268
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 269
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 270
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 271
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 272
 &rst  iat = 41, 41, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 273
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 274
 &rst  iat = 41, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 275
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 276
 &rst  iat = 41, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 277
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 278
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 279
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 280
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 281
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 282
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 283
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 284
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 285
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 286
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 287
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 288
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 289
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 290
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 291
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 292
 &rst  iat = 42, 42, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 293
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 294
 &rst  iat = 42, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 295
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 296
 &rst  iat = 42, 42, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 297
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 298
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 299
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 300
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 301
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 302
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 303
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 304
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 305
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 306
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 307
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 308
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 309
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 310
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 311
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 312
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 313
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 314
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 315
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 316
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 317
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 318
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 319
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 320
 &rst  iat = 44, 44, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 321
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 322
 &rst  iat = 44, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 323
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 324
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 325
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 326
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 327
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 328
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 329
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 330
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 331
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 332
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 333
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 334
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 335
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 336
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 337
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 338
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 339
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 340
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 341
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 342
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 343
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 344
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 345
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 346
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 347
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 348
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 349
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 350
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 351
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 352
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 353
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 354
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 355
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 356
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 357
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 358
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 359
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H6',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 360
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H6',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 361
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 362
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 363
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 364
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 365
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 366
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 367
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 368
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 369
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 370
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 371
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 372
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 373
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 374
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 375
 &rst  iat =  4, 21, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 376
 &rst  iat = 27, 44, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 377
 &rst  iat =  5, 20, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 378
 &rst  iat = 28, 43, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 379
 &rst  iat =  8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 380
 &rst  iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 381
 &rst  iat =  8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 382
 &rst  iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 383
 &rst  iat =  8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 384
 &rst  iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 385
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 386
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 387
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 388
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 389
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 390
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 391
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 392
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 393
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 394
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 395
 &rst  iat =  9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 396
 &rst  iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 397
 &rst  iat =  9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 398
 &rst  iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 399
 &rst  iat =  9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 400
 &rst  iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 401
 &rst  iat =  9, 40, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 402
 &rst  iat = 32, 17, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 403
 &rst  iat =  9, 40, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 404
 &rst  iat = 32, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 405
 &rst  iat =  9, 40, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 406
 &rst  iat = 32, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end

############################################
# DISTANCE RESTRAINTS FROM WATER 2DNOE DATA#
############################################

# distance constraint number 407
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 408
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 409
 &rst  iat =  1, 22, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 410
 &rst  iat = 24, 45, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 411
 &rst  iat =  1, 22, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 412
 &rst  iat = 24, 45, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 413
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 414
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 415
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 416
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 417
 &rst  iat =  2, 21, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 418
 &rst  iat = 25, 44, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 419
 &rst  iat =  3, 21, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 420
 &rst  iat = 26, 44, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 421
 &rst  iat =  3, 21, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 422
 &rst  iat = 26, 44, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 423
 &rst  iat =  3, 21, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 424
 &rst  iat = 26, 44, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 425
 &rst  iat =  3, 20, iresid = 1, atnam(1)='H41',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 426
 &rst  iat = 26, 43, iresid = 1, atnam(1)='H41',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 427
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 428
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 429
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H61',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 430
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H61',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 431
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H62',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 432
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H62',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 433
 &rst  iat =  4, 19, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 434
 &rst  iat = 27, 42, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 435
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H61',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 436
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H61',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 437
 &rst  iat =  5, 19, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 438
 &rst  iat = 28, 42, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 439
 &rst  iat =  5, 20, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 440
 &rst  iat = 28, 43, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 441
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 442
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 443
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 444
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 445
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 446
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 447
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 448
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 449
 &rst  iat = 10, 37, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 450
 &rst  iat = 33, 14, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 451
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 452
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 453
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 454
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 455
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 456
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 457
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 458
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H6',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 459
 &rst  iat = 12, 35, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 460
 &rst  iat = 12, 35, iresid = 1, atnam(1)='H1',atnam(2)='H21',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 461
 &rst  iat = 12, 35, iresid = 1, atnam(1)='H21',atnam(2)='H1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 462
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 463
 &rst  iat = 36, 35, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 464
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 465
 &rst  iat = 36, 35, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 466
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 467
 &rst  iat = 36, 35, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 468
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 469
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 470
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 471
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 472
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 473
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 474
 &rst  iat = 19, 20, iresid = 1, atnam(1)='H3',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 475
 &rst  iat = 42, 43, iresid = 1, atnam(1)='H3',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 476
 &rst  iat = 19, 20, iresid = 1, atnam(1)='H3',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end



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