Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
476093 | 1bau RC | 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