Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
7177 | 1k2k RC | 5339 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# d(CGTACG)2 at 288 K
# distance constraint number 1
&rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.047, r2 = 3.347, r3 = 3.543, r4 = 5.543,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 2
&rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
r1 = 0.010, r2 = 3.510, r3 = 5.390, r4 = 7.390,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 3
&rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.017, r2 = 3.017, r3 = 3.123, r4 = 5.123,
rk2 =8.000, rk3 =8.000, &end
# distance constraint number 4
&rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.051, r2 = 3.151, r3 = 3.339, r4 = 5.339,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 5
&rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
r1 = 0.080, r2 = 4.080, r3 = 4.180, r4 = 6.180,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 6
&rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
r1 = 0.090, r2 = 2.390, r3 = 2.530, r4 = 4.530,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 7
&rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.082, r2 = 2.582, r3 = 2.745, r4 = 4.745,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 8
&rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.015, r2 = 2.515, r3 = 2.668, r4 = 4.668,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 9
&rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.009, r2 = 3.009, r3 = 3.121, r4 = 5.121,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 10
&rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 0.037, r2 = 4.137, r3 = 5.029, r4 = 7.029,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 11
&rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.067, r2 = 3.467, r3 = 3.620, r4 = 5.620,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 12
&rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.044, r2 = 2.744, r3 = 2.899, r4 = 4.899,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 13
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.018, r2 = 4.218, r3 = 4.802, r4 = 6.802,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 14
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.001, r2 = 2.701, r3 = 2.916, r4 = 4.916,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 15
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.080, r2 = 2.380, r3 = 2.530, r4 = 4.530,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 16
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.088, r2 = 2.288, r3 = 2.446, r4 = 4.446,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 17
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.067, r2 = 4.167, r3 = 4.736, r4 = 6.736,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 18
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.029, r2 = 2.329, r3 = 2.441, r4 = 4.441,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 19
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.043, r2 = 3.143, r3 = 3.477, r4 = 5.477,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 20
&rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.052, r2 = 2.652, r3 = 2.795, r4 = 4.795,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 21
&rst iat = 6, 4, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.033, r2 = 2.933, r3 = 3.254, r4 = 5.254,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 22
&rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.091, r2 = 2.791, r3 = 2.942, r4 = 4.942,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 23
&rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.081, r2 = 3.481, r3 = 3.649, r4 = 5.649,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 24
&rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
r1 = 0.095, r2 = 3.095, r3 = 3.295, r4 = 5.295,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 25
&rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
r1 = 0.063, r2 = 2.663, r3 = 2.827, r4 = 4.827,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 26
&rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.058, r2 = 3.358, r3 = 3.642, r4 = 5.642,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 27
# &rst iat = -1 , 40,
# igr1 = 79, 80, 81,
# r1 = 0.041, r2 = 4.641, r3 = 5.235, r4 = 7.235,
# rk2 =7.000, rk3 =7.000, &end
# distance constraint number 28
# &rst iat = -1 , 43,
# igr1 = 79, 80, 81,
# r1 = 0.096, r2 = 3.896, r3 = 4.558, r4 = 6.558,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 29
# &rst iat = -1 , 59,
# igr1 = 79, 80, 81,
# r1 = 0.033, r2 = 3.733, r3 = 4.647, r4 = 6.647,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 30
# &rst iat = -1 , 60,
# igr1 = 79, 80, 81,
# r1 = 0.015, r2 = 3.515, r3 = 4.199, r4 = 6.199,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 31
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.037, r2 = 3.337, r3 = 3.479, r4 = 5.479,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 32
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
r1 = 0.087, r2 = 2.087, r3 = 2.266, r4 = 4.266,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 33
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.053, r2 = 4.253, r3 = 4.697, r4 = 6.697,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 34
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.068, r2 = 2.368, r3 = 2.522, r4 = 4.522,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 35
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.077, r2 = 3.577, r3 = 3.869, r4 = 5.869,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 36
&rst iat = 8, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.036, r2 = 2.936, r3 = 3.171, r4 = 5.171,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 37
&rst iat = 8, 6, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.076, r2 = 3.776, r3 = 4.480, r4 = 6.480,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 38
&rst iat = 8, 6, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 0.081, r2 = 3.781, r3 = 7.699, r4 = 9.699,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 39
&rst iat = 8, 6, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.019, r2 = 3.019, r3 = 3.244, r4 = 5.244,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 40
&rst iat = 8, 8, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.027, r2 = 3.727, r3 = 3.827, r4 = 5.827,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 41
&rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.022, r2 = 2.722, r3 = 2.868, r4 = 4.868,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 42
&rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 0.017, r2 = 4.017, r3 = 4.186, r4 = 6.186,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 43
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.078, r2 = 4.278, r3 = 4.512, r4 = 6.512,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 44
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.066, r2 = 2.666, r3 = 3.011, r4 = 5.011,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 45
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.081, r2 = 2.181, r3 = 2.332, r4 = 4.332,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 46
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.014, r2 = 2.314, r3 = 2.463, r4 = 4.463,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 47
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.068, r2 = 3.768, r3 = 5.042, r4 = 7.042,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 48
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.017, r2 = 2.317, r3 = 2.427, r4 = 4.427,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 49
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.087, r2 = 3.187, r3 = 3.490, r4 = 5.490,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 50
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.037, r2 = 2.737, r3 = 2.937, r4 = 4.937,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 51
&rst iat = 10, 8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.024, r2 = 2.824, r3 = 5.771, r4 = 7.771,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 52
&rst iat = 10, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
r1 = 0.025, r2 = 3.625, r3 = 3.825, r4 = 5.825,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 53
&rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.039, r2 = 3.839, r3 = 4.456, r4 = 6.456,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 54
&rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
r1 = 0.058, r2 = 2.658, r3 = 2.922, r4 = 4.922,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 55
&rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
r1 = 0.091, r2 = 2.691, r3 = 2.842, r4 = 4.842,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 56
&rst iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
r1 = 0.095, r2 = 3.395, r3 = 3.495, r4 = 5.495,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 57
&rst iat = 10, 8, iresid = 1, atnam(1)='H5',atnam(2)='H8',
r1 = 0.023, r2 = 3.623, r3 = 3.867, r4 = 5.867,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 58
&rst iat = 10, 8, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
r1 = 0.075, r2 = 3.975, r3 = 4.135, r4 = 6.135,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 59
&rst iat = 10, 8, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
r1 = 0.012, r2 = 3.812, r3 = 4.248, r4 = 6.248,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 60
&rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.021, r2 = 2.621, r3 = 2.779, r4 = 4.779,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 61
&rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
r1 = 0.025, r2 = 3.525, r3 = 3.795, r4 = 5.795,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 62
&rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.035, r2 = 2.335, r3 = 2.478, r4 = 4.478,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 63
&rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.093, r2 = 2.793, r3 = 3.820, r4 = 5.820,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 64
&rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.036, r2 = 3.136, r3 = 3.911, r4 = 5.911,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 65
&rst iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.050, r2 = 3.050, r3 = 3.307, r4 = 5.307,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 66
&rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 0.010, r2 = 4.010, r3 = 4.210, r4 = 6.210,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 67
&rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.040, r2 = 4.040, r3 = 4.320, r4 = 6.320,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 68
&rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.047, r2 = 4.047, r3 = 4.908, r4 = 6.908,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 69
&rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.087, r2 = 2.887, r3 = 3.010, r4 = 5.010,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 70
&rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.015, r2 = 3.615, r3 = 3.968, r4 = 5.968,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 71
&rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 0.024, r2 = 3.824, r3 = 3.983, r4 = 5.983,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 72
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.073, r2 = 3.173, r3 = 3.697, r4 = 5.697,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 73
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.059, r2 = 2.559, r3 = 2.711, r4 = 4.711,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 74
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.098, r2 = 2.498, r3 = 2.675, r4 = 4.675,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 75
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.047, r2 = 2.247, r3 = 2.426, r4 = 4.426,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 76
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.071, r2 = 3.571, r3 = 4.139, r4 = 6.139,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 77
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.063, r2 = 2.863, r3 = 3.104, r4 = 5.104,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 78
&rst iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.047, r2 = 3.347, r3 = 3.543, r4 = 5.543,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 79
&rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
r1 = 0.008, r2 = 3.508, r3 = 5.396, r4 = 7.396,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 80
&rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.017, r2 = 3.017, r3 = 3.123, r4 = 5.123,
rk2 =8.000, rk3 =8.000, &end
# distance constraint number 81
&rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.051, r2 = 3.151, r3 = 3.339, r4 = 5.339,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 82
&rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
r1 = 0.080, r2 = 4.080, r3 = 4.180, r4 = 6.180,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 83
&rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
r1 = 0.090, r2 = 2.390, r3 = 2.530, r4 = 4.530,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 84
&rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.078, r2 = 2.578, r3 = 2.745, r4 = 4.745,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 85
&rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.015, r2 = 2.515, r3 = 2.665, r4 = 4.665,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 86
&rst iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.009, r2 = 3.009, r3 = 3.121, r4 = 5.121,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 87
&rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 0.037, r2 = 4.137, r3 = 5.029, r4 = 7.029,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 88
&rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.067, r2 = 3.467, r3 = 3.620, r4 = 5.620,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 89
&rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.044, r2 = 2.744, r3 = 2.899, r4 = 4.899,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 90
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.018, r2 = 4.218, r3 = 4.802, r4 = 6.802,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 91
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.001, r2 = 2.701, r3 = 2.916, r4 = 4.916,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 92
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.080, r2 = 2.380, r3 = 2.530, r4 = 4.530,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 93
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.088, r2 = 2.288, r3 = 2.446, r4 = 4.446,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 94
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.067, r2 = 4.167, r3 = 4.736, r4 = 6.736,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 95
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.029, r2 = 2.329, r3 = 2.441, r4 = 4.441,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 96
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.043, r2 = 3.143, r3 = 3.477, r4 = 5.477,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 97
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.052, r2 = 2.652, r3 = 2.795, r4 = 4.795,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 98
&rst iat = 19, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.033, r2 = 2.933, r3 = 3.254, r4 = 5.254,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 99
&rst iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.091, r2 = 2.791, r3 = 2.942, r4 = 4.942,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 100
&rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.081, r2 = 3.481, r3 = 3.649, r4 = 5.649,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 101
&rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
r1 = 0.095, r2 = 3.095, r3 = 3.295, r4 = 5.295,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 102
&rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
r1 = 0.063, r2 = 2.663, r3 = 2.827, r4 = 4.827,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 103
&rst iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.058, r2 = 3.358, r3 = 3.642, r4 = 5.642,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 104
# &rst iat = -1 , 229,
# igr1 = 268, 269, 270,
# r1 = 0.041, r2 = 4.641, r3 = 5.235, r4 = 7.235,
# rk2 =7.000, rk3 =7.000, &end
# distance constraint number 105
# &rst iat = -1 , 232,
# igr1 = 268, 269, 270,
# r1 = 0.096, r2 = 3.896, r3 = 4.558, r4 = 6.558,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 106
# &rst iat = -1 , 248,
# igr1 = 268, 269, 270,
# r1 = 0.033, r2 = 3.733, r3 = 4.647, r4 = 6.647,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 107
# &rst iat = -1 , 249,
# igr1 = 268, 269, 270,
# r1 = 0.015, r2 = 3.515, r3 = 4.199, r4 = 6.199,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 108
&rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.037, r2 = 3.337, r3 = 3.479, r4 = 5.479,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 109
&rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
r1 = 0.087, r2 = 2.087, r3 = 2.266, r4 = 4.266,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 110
&rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.053, r2 = 4.253, r3 = 4.697, r4 = 6.697,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 111
&rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.068, r2 = 2.368, r3 = 2.522, r4 = 4.522,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 112
&rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.080, r2 = 3.580, r3 = 3.870, r4 = 5.870,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 113
&rst iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.036, r2 = 2.936, r3 = 3.171, r4 = 5.171,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 114
&rst iat = 21, 19, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.076, r2 = 3.776, r3 = 4.480, r4 = 6.480,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 115
&rst iat = 21, 19, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 0.081, r2 = 3.781, r3 = 7.699, r4 = 9.699,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 116
&rst iat = 21, 19, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.019, r2 = 3.019, r3 = 3.244, r4 = 5.244,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 117
&rst iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.027, r2 = 3.727, r3 = 3.827, r4 = 5.827,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 118
&rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.022, r2 = 2.722, r3 = 2.868, r4 = 4.868,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 119
&rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 0.017, r2 = 4.017, r3 = 4.186, r4 = 6.186,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 120
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.078, r2 = 4.278, r3 = 4.512, r4 = 6.512,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 121
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.066, r2 = 2.666, r3 = 3.011, r4 = 5.011,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 122
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.081, r2 = 2.181, r3 = 2.332, r4 = 4.332,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 123
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.014, r2 = 2.314, r3 = 2.463, r4 = 4.463,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 124
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.068, r2 = 3.768, r3 = 5.042, r4 = 7.042,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 125
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.017, r2 = 2.317, r3 = 2.427, r4 = 4.427,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 126
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.087, r2 = 3.187, r3 = 3.490, r4 = 5.490,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 127
&rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.037, r2 = 2.737, r3 = 2.937, r4 = 4.937,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 128
&rst iat = 23, 21, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.024, r2 = 2.824, r3 = 5.771, r4 = 7.771,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 129
&rst iat = 23, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
r1 = 0.025, r2 = 3.625, r3 = 3.825, r4 = 5.825,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 130
&rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.039, r2 = 3.839, r3 = 4.456, r4 = 6.456,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 131
&rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
r1 = 0.058, r2 = 2.658, r3 = 2.922, r4 = 4.922,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 132
&rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
r1 = 0.091, r2 = 2.691, r3 = 2.842, r4 = 4.842,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 133
&rst iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
r1 = 0.095, r2 = 3.395, r3 = 3.495, r4 = 5.495,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 134
&rst iat = 23, 21, iresid = 1, atnam(1)='H5',atnam(2)='H8',
r1 = 0.023, r2 = 3.623, r3 = 3.867, r4 = 5.867,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 135
&rst iat = 23, 21, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
r1 = 0.075, r2 = 3.975, r3 = 4.135, r4 = 6.135,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 136
&rst iat = 23, 21, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
r1 = 0.012, r2 = 3.812, r3 = 4.248, r4 = 6.248,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 137
&rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.021, r2 = 2.621, r3 = 2.779, r4 = 4.779,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 138
&rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
r1 = 0.025, r2 = 3.525, r3 = 3.795, r4 = 5.795,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 139
&rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.035, r2 = 2.335, r3 = 2.478, r4 = 4.478,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 140
&rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.093, r2 = 2.793, r3 = 3.820, r4 = 5.820,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 141
&rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.033, r2 = 3.133, r3 = 3.910, r4 = 5.910,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 142
&rst iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.050, r2 = 3.050, r3 = 3.307, r4 = 5.307,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 143
&rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 0.010, r2 = 4.010, r3 = 4.210, r4 = 6.210,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 144
&rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.040, r2 = 4.040, r3 = 4.320, r4 = 6.320,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 145
&rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.047, r2 = 4.047, r3 = 4.908, r4 = 6.908,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 146
&rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
r1 = 0.087, r2 = 2.887, r3 = 3.010, r4 = 5.010,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 147
&rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.015, r2 = 3.615, r3 = 3.968, r4 = 5.968,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 148
&rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 0.024, r2 = 3.824, r3 = 3.983, r4 = 5.983,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 149
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.073, r2 = 3.173, r3 = 3.697, r4 = 5.697,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 150
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.059, r2 = 2.559, r3 = 2.711, r4 = 4.711,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 151
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
r1 = 0.098, r2 = 2.498, r3 = 2.675, r4 = 4.675,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 152
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.047, r2 = 2.247, r3 = 2.426, r4 = 4.426,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 153
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.071, r2 = 3.571, r3 = 4.139, r4 = 6.139,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 154
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
r1 = 0.063, r2 = 2.863, r3 = 3.104, r4 = 5.104,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 155
&rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.045, r2 = 3.745, r3 = 3.945, r4 = 5.945,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 156
# &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
# r1 = 0.061, r2 = 4.061, r3 = 4.874, r4 = 6.874,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 157
&rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.090, r2 = 4.290, r3 = 4.690, r4 = 6.690,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 158
&rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
r1 = 0.035, r2 = 4.135, r3 = 4.335, r4 = 6.335,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 159
&rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
r1 = 0.060, r2 = 4.660, r3 = 4.990, r4 = 6.990,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 160
&rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.021, r2 = 4.121, r3 = 4.359, r4 = 6.359,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 161
&rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.048, r2 = 3.948, r3 = 4.057, r4 = 6.057,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 162
# &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
# r1 = 0.038, r2 = 5.038, r3 = 6.688, r4 = 8.688,
# rk2 =7.000, rk3 =7.000, &end
# distance constraint number 163
&rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
r1 = 0.096, r2 = 3.696, r3 = 3.899, r4 = 5.899,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 164
# &rst iat = -1 , 57,
# igr1 = 79, 80, 81,
# r1 = 0.073, r2 = 5.173, r3 = 5.837, r4 = 7.837,
# rk2 =5.000, rk3 =5.000, &end
# distance constraint number 165
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.038, r2 = 3.938, r3 = 4.542, r4 = 6.542,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 166
&rst iat = 8, 8, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
r1 = 0.014, r2 = 4.214, r3 = 4.416, r4 = 6.416,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 167
&rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.071, r2 = 3.871, r3 = 4.569, r4 = 6.569,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 168
&rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.000, r2 = 3.700, r3 = 3.980, r4 = 5.980,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 169
&rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.098, r2 = 3.798, r3 = 3.997, r4 = 5.997,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 170
&rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
r1 = 0.030, r2 = 4.630, r3 = 4.990, r4 = 6.990,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 171
&rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.045, r2 = 3.745, r3 = 3.945, r4 = 5.945,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 172
# &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
# r1 = 0.059, r2 = 4.059, r3 = 4.881, r4 = 6.881,
# rk2 =10.000, rk3 =10.000, &end
# distance constraint number 173
&rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.090, r2 = 4.290, r3 = 4.690, r4 = 6.690,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 174
&rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
r1 = 0.035, r2 = 4.135, r3 = 4.335, r4 = 6.335,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 175
&rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
r1 = 0.060, r2 = 4.660, r3 = 4.990, r4 = 6.990,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 176
&rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.021, r2 = 4.121, r3 = 4.359, r4 = 6.359,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 177
&rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.048, r2 = 3.948, r3 = 4.057, r4 = 6.057,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 178
# &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
# r1 = 0.038, r2 = 5.038, r3 = 6.688, r4 = 8.688,
# rk2 =7.000, rk3 =7.000, &end
# distance constraint number 179
&rst iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
r1 = 0.096, r2 = 3.696, r3 = 3.899, r4 = 5.899,
rk2 =7.000, rk3 =7.000, &end
# distance constraint number 180
# &rst iat = -1 , 246,
# igr1 = 268, 269, 270,
# r1 = 0.073, r2 = 5.173, r3 = 5.837, r4 = 7.837,
# rk2 =5.000, rk3 =5.000, &end
# distance constraint number 181
&rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.038, r2 = 3.938, r3 = 4.542, r4 = 6.542,
rk2 =5.000, rk3 =5.000, &end
# distance constraint number 182
&rst iat = 21, 21, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
r1 = 0.014, r2 = 4.214, r3 = 4.416, r4 = 6.416,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 183
&rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.071, r2 = 3.871, r3 = 4.569, r4 = 6.569,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 184
&rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 0.000, r2 = 3.700, r3 = 3.980, r4 = 5.980,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 185
&rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.098, r2 = 3.798, r3 = 3.997, r4 = 5.997,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 186
&rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
r1 = 0.030, r2 = 4.630, r3 = 4.990, r4 = 6.990,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 187
&rst iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.025, r2 = 2.525, r3 = 2.725, r4 = 4.725,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 188
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.060, r2 = 4.960, r3 = 5.160, r4 = 7.160,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 189
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.040, r2 = 3.740, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 190
&rst iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
r1 = 0.025, r2 = 2.525, r3 = 2.725, r4 = 4.725,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 191
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.060, r2 = 4.960, r3 = 5.160, r4 = 7.160,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 192
&rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
r1 = 0.040, r2 = 3.740, r3 = 3.940, r4 = 5.940,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 193
&rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.000, r2 = 3.900, r3 = 4.300, r4 = 6.300,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 194
&rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
r1 = 0.030, r2 = 4.930, r3 = 5.890, r4 = 7.890,
rk2 =2.000, rk3 =2.000, &end
# distance constraint number 195
&rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
r1 = 0.000, r2 = 3.900, r3 = 4.300, r4 = 6.300,
rk2 =10.000, rk3 =10.000, &end
# distance constraint number 196
&rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
r1 = 0.030, r2 = 4.930, r3 = 5.890, r4 = 7.890,
rk2 =2.000, rk3 =2.000, &end