NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
13405 | 1uqb | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# sequence: d(CAGCTG)2 # distance constraint number 1 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.080, r2 = 3.080, r3 = 3.180, r4 = 5.180, rk2 =10.000, rk3 =10.000, &end # distance constraint number 2 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.060, r2 = 3.060, r3 = 3.160, r4 = 5.160, rk2 =10.000, rk3 =10.000, &end # distance constraint number 3 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.078, r2 = 3.478, r3 = 3.585, r4 = 5.585, rk2 =10.000, rk3 =10.000, &end # distance constraint number 4 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.045, r2 = 2.345, r3 = 2.445, r4 = 4.445, rk2 =10.000, rk3 =10.000, &end # distance constraint number 5 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.062, r2 = 2.462, r3 = 2.562, r4 = 4.562, rk2 =10.000, rk3 =10.000, &end # distance constraint number 6 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.042, r2 = 2.542, r3 = 2.642, r4 = 4.642, rk2 =10.000, rk3 =10.000, &end # distance constraint number 7 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.007, r2 = 4.307, r3 = 5.023, r4 = 7.023, rk2 =10.000, rk3 =10.000, &end # distance constraint number 8 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.063, r2 = 2.963, r3 = 3.063, r4 = 5.063, rk2 =10.000, rk3 =10.000, &end # distance constraint number 9 # distance constraint number 10 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.072, r2 = 3.672, r3 = 3.821, r4 = 5.821, rk2 =7.000, rk3 =7.000, &end # distance constraint number 11 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.078, r2 = 3.378, r3 = 3.478, r4 = 5.478, rk2 =10.000, rk3 =10.000, &end # distance constraint number 12 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.015, r2 = 3.115, r3 = 3.215, r4 = 5.215, rk2 =10.000, rk3 =10.000, &end # distance constraint number 13 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.068, r2 = 4.468, r3 = 4.889, r4 = 6.889, rk2 =2.000, rk3 =2.000, &end # distance constraint number 14 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.035, r2 = 3.335, r3 = 3.435, r4 = 5.435, rk2 =10.000, rk3 =10.000, &end # distance constraint number 15 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.093, r2 = 2.593, r3 = 2.693, r4 = 4.693, rk2 =10.000, rk3 =10.000, &end # distance constraint number 16 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.017, r2 = 3.517, r3 = 3.649, r4 = 5.649, rk2 =10.000, rk3 =10.000, &end # distance constraint number 17 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.039, r2 = 3.439, r3 = 3.615, r4 = 5.615, rk2 =10.000, rk3 =10.000, &end # distance constraint number 18 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.011, r2 = 2.711, r3 = 2.829, r4 = 4.829, rk2 =10.000, rk3 =10.000, &end # distance constraint number 19 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.035, r2 = 2.135, r3 = 2.235, r4 = 4.235, rk2 =10.000, rk3 =10.000, &end # distance constraint number 20 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.082, r2 = 2.282, r3 = 2.382, r4 = 4.382, rk2 =10.000, rk3 =10.000, &end # distance constraint number 21 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.013, r2 = 2.313, r3 = 2.413, r4 = 4.413, rk2 =10.000, rk3 =10.000, &end # distance constraint number 22 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.035, r2 = 2.735, r3 = 2.845, r4 = 4.845, rk2 =10.000, rk3 =10.000, &end # distance constraint number 23 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.032, r2 = 2.532, r3 = 2.632, r4 = 4.632, rk2 =10.000, rk3 =10.000, &end # distance constraint number 24 &rst iat = 6, 4, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.078, r2 = 3.978, r3 = 4.367, r4 = 6.367, rk2 =2.000, rk3 =2.000, &end # distance constraint number 25 &rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.018, r2 = 2.818, r3 = 2.918, r4 = 4.918, rk2 =10.000, rk3 =10.000, &end # distance constraint number 26 &rst iat = 6, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.078, r2 = 3.178, r3 = 3.312, r4 = 5.312, rk2 =10.000, rk3 =10.000, &end # distance constraint number 27 &rst iat = 6, 4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.045, r2 = 3.245, r3 = 3.345, r4 = 5.345, rk2 =10.000, rk3 =10.000, &end # distance constraint number 28 &rst iat = 6, 4, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.033, r2 = 2.733, r3 = 2.833, r4 = 4.833, rk2 =10.000, rk3 =10.000, &end # distance constraint number 29 &rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.030, r2 = 3.430, r3 = 3.530, r4 = 5.530, rk2 =10.000, rk3 =10.000, &end # distance constraint number 30 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.085, r2 = 3.485, r3 = 3.735, r4 = 5.735, rk2 =10.000, rk3 =10.000, &end # distance constraint number 31 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.054, r2 = 3.754, r3 = 4.269, r4 = 6.269, rk2 =5.000, rk3 =5.000, &end # distance constraint number 32 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.025, r2 = 2.625, r3 = 2.758, r4 = 4.758, rk2 =10.000, rk3 =10.000, &end # distance constraint number 33 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.033, r2 = 2.433, r3 = 2.573, r4 = 4.573, rk2 =10.000, rk3 =10.000, &end # distance constraint number 34 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.052, r2 = 3.652, r3 = 4.431, r4 = 6.431, rk2 =5.000, rk3 =5.000, &end # distance constraint number 35 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.032, r2 = 2.332, r3 = 2.432, r4 = 4.432, rk2 =10.000, rk3 =10.000, &end # distance constraint number 36 # distance constraint number 37 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.089, r2 = 2.589, r3 = 2.785, r4 = 4.785, rk2 =10.000, rk3 =10.000, &end # distance constraint number 38 &rst iat = 8, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.060, r2 = 2.660, r3 = 2.760, r4 = 4.760, rk2 =10.000, rk3 =10.000, &end # distance constraint number 39 &rst iat = 8, 6, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.097, r2 = 2.797, r3 = 3.079, r4 = 5.079, rk2 =10.000, rk3 =10.000, &end # distance constraint number 40 # distance constraint number 41 &rst iat = 8, 6, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.037, r2 = 2.537, r3 = 2.637, r4 = 4.637, rk2 =10.000, rk3 =10.000, &end # distance constraint number 42 &rst iat = 8, 8, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.072, r2 = 3.572, r3 = 3.971, r4 = 5.971, rk2 =7.000, rk3 =7.000, &end # distance constraint number 43 &rst iat = 8, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.095, r2 = 3.195, r3 = 3.295, r4 = 5.295, rk2 =10.000, rk3 =10.000, &end # distance constraint number 44 &rst iat = 8, 6, iresid = 1, atnam(1)='H5',atnam(2)='H8', r1 = 0.005, r2 = 3.505, r3 = 3.605, r4 = 5.605, rk2 =10.000, rk3 =10.000, &end # distance constraint number 45 &rst iat = 8, 6, iresid = 1, atnam(1)='H5',atnam(2)='H2''1', r1 = 0.052, r2 = 3.252, r3 = 3.418, r4 = 5.418, rk2 =10.000, rk3 =10.000, &end # distance constraint number 46 &rst iat = 8, 6, iresid = 1, atnam(1)='H5',atnam(2)='H2''2', r1 = 0.072, r2 = 2.972, r3 = 3.072, r4 = 5.072, rk2 =10.000, rk3 =10.000, &end # distance constraint number 47 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.064, r2 = 3.664, r3 = 3.822, r4 = 5.822, rk2 =10.000, rk3 =10.000, &end # distance constraint number 48 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.034, r2 = 3.034, r3 = 3.256, r4 = 5.256, rk2 =10.000, rk3 =10.000, &end # distance constraint number 49 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.038, r2 = 3.738, r3 = 3.952, r4 = 5.952, rk2 =7.000, rk3 =7.000, &end # distance constraint number 50 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.088, r2 = 2.888, r3 = 3.022, r4 = 5.022, rk2 =10.000, rk3 =10.000, &end # distance constraint number 51 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.088, r2 = 2.088, r3 = 2.232, r4 = 4.232, rk2 =10.000, rk3 =10.000, &end # distance constraint number 52 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 0.051, r2 = 4.551, r3 = 6.063, r4 = 8.063, rk2 =2.000, rk3 =2.000, &end # distance constraint number 53 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.022, r2 = 2.322, r3 = 2.422, r4 = 4.422, rk2 =10.000, rk3 =10.000, &end # distance constraint number 54 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.045, r2 = 3.145, r3 = 3.432, r4 = 5.432, rk2 =10.000, rk3 =10.000, &end # distance constraint number 55 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.078, r2 = 2.278, r3 = 2.378, r4 = 4.378, rk2 =10.000, rk3 =10.000, &end # distance constraint number 56 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.090, r2 = 2.990, r3 = 3.110, r4 = 5.110, rk2 =10.000, rk3 =10.000, &end # distance constraint number 57 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.097, r2 = 2.797, r3 = 2.909, r4 = 4.909, rk2 =10.000, rk3 =10.000, &end # distance constraint number 58 &rst iat = 10, 8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.083, r2 = 3.283, r3 = 3.442, r4 = 5.442, rk2 =10.000, rk3 =10.000, &end # distance constraint number 59 &rst iat = 10, 8, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2', r1 = 0.007, r2 = 2.907, r3 = 3.206, r4 = 5.206, rk2 =10.000, rk3 =10.000, &end # distance constraint number 60 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.076, r2 = 3.276, r3 = 3.701, r4 = 5.701, rk2 =10.000, rk3 =10.000, &end # distance constraint number 61 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.060, r2 = 3.060, r3 = 3.487, r4 = 5.487, rk2 =10.000, rk3 =10.000, &end # distance constraint number 62 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.053, r2 = 2.553, r3 = 2.653, r4 = 4.653, rk2 =10.000, rk3 =10.000, &end # distance constraint number 63 &rst iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.023, r2 = 3.323, r3 = 3.560, r4 = 5.560, rk2 =10.000, rk3 =10.000, &end # distance constraint number 64 &rst iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.021, r2 = 3.021, r3 = 3.326, r4 = 5.326, rk2 =10.000, rk3 =10.000, &end # distance constraint number 65 &rst iat = 140 , 108, r1 = 0.040, r2 = 3.140, r3 = 3.907, r4 = 5.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 66 &rst iat = 140 , 110, r1 = 0.025, r2 = 4.025, r3 = 4.535, r4 = 6.135, rk2 =10.000, rk3 =10.000, &end # distance constraint number 67 &rst iat = 140 , 119, r1 = 0.024, r2 = 3.724, r3 = 4.283, r4 = 5.883, rk2 =10.000, rk3 =10.000, &end # distance constraint number 68 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.068, r2 = 2.468, r3 = 2.568, r4 = 4.568, rk2 =10.000, rk3 =10.000, &end # distance constraint number 69 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.072, r2 = 3.072, r3 = 3.172, r4 = 5.172, rk2 =10.000, rk3 =10.000, &end # distance constraint number 70 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.080, r2 = 2.980, r3 = 3.317, r4 = 5.317, rk2 =10.000, rk3 =10.000, &end # distance constraint number 71 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.046, r2 = 2.946, r3 = 3.124, r4 = 5.124, rk2 =10.000, rk3 =10.000, &end # distance constraint number 72 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.000, r2 = 1.950, r3 = 2.050, r4 = 4.050, rk2 =10.000, rk3 =10.000, &end # distance constraint number 73 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.062, r2 = 2.362, r3 = 2.462, r4 = 4.462, rk2 =10.000, rk3 =10.000, &end # distance constraint number 74 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.037, r2 = 2.837, r3 = 2.973, r4 = 4.973, rk2 =10.000, rk3 =10.000, &end # distance constraint number 75 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.060, r2 = 2.260, r3 = 2.360, r4 = 4.360, rk2 =10.000, rk3 =10.000, &end # distance constraint number 76 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.016, r2 = 3.416, r3 = 3.580, r4 = 5.580, rk2 =10.000, rk3 =10.000, &end # distance constraint number 77 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.080, r2 = 2.780, r3 = 2.883, r4 = 4.883, rk2 =10.000, rk3 =10.000, &end # distance constraint number 78 &rst iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.058, r2 = 2.958, r3 = 3.062, r4 = 5.062, rk2 =10.000, rk3 =10.000, &end # distance constraint number 79 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.071, r2 = 3.671, r3 = 4.599, r4 = 6.599, rk2 =5.000, rk3 =5.000, &end # distance constraint number 80 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.053, r2 = 3.953, r3 = 4.320, r4 = 6.320, rk2 =5.000, rk3 =5.000, &end # distance constraint number 81 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.077, r2 = 3.277, r3 = 3.377, r4 = 5.377, rk2 =10.000, rk3 =10.000, &end # distance constraint number 82 &rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.095, r2 = 3.395, r3 = 3.535, r4 = 5.535, rk2 =10.000, rk3 =10.000, &end # distance constraint number 83 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.033, r2 = 3.433, r3 = 3.727, r4 = 5.727, rk2 =10.000, rk3 =10.000, &end # distance constraint number 84 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.006, r2 = 3.106, r3 = 3.214, r4 = 5.214, rk2 =10.000, rk3 =10.000, &end # distance constraint number 85 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.062, r2 = 2.962, r3 = 3.062, r4 = 5.062, rk2 =10.000, rk3 =10.000, &end # distance constraint number 86 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.000, r2 = 2.200, r3 = 2.300, r4 = 4.300, rk2 =10.000, rk3 =10.000, &end # distance constraint number 87 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.098, r2 = 2.498, r3 = 2.598, r4 = 4.598, rk2 =10.000, rk3 =10.000, &end # distance constraint number 88 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.055, r2 = 2.255, r3 = 2.355, r4 = 4.355, rk2 =10.000, rk3 =10.000, &end # distance constraint number 89 # distance constraint number 90 &rst iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.080, r2 = 3.080, r3 = 3.180, r4 = 5.180, rk2 =10.000, rk3 =10.000, &end # distance constraint number 91 &rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.060, r2 = 3.060, r3 = 3.160, r4 = 5.160, rk2 =10.000, rk3 =10.000, &end # distance constraint number 92 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.078, r2 = 3.478, r3 = 3.585, r4 = 5.585, rk2 =10.000, rk3 =10.000, &end # distance constraint number 93 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.045, r2 = 2.345, r3 = 2.445, r4 = 4.445, rk2 =10.000, rk3 =10.000, &end # distance constraint number 94 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.062, r2 = 2.462, r3 = 2.562, r4 = 4.562, rk2 =10.000, rk3 =10.000, &end # distance constraint number 95 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.042, r2 = 2.542, r3 = 2.642, r4 = 4.642, rk2 =10.000, rk3 =10.000, &end # distance constraint number 96 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.007, r2 = 4.307, r3 = 5.023, r4 = 7.023, rk2 =10.000, rk3 =10.000, &end # distance constraint number 97 &rst iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.063, r2 = 2.963, r3 = 3.063, r4 = 5.063, rk2 =10.000, rk3 =10.000, &end # distance constraint number 98 # distance constraint number 99 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.072, r2 = 3.672, r3 = 3.821, r4 = 5.821, rk2 =7.000, rk3 =7.000, &end # distance constraint number 100 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.078, r2 = 3.378, r3 = 3.478, r4 = 5.478, rk2 =10.000, rk3 =10.000, &end # distance constraint number 101 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.015, r2 = 3.115, r3 = 3.215, r4 = 5.215, rk2 =10.000, rk3 =10.000, &end # distance constraint number 102 &rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.068, r2 = 4.468, r3 = 4.889, r4 = 6.889, rk2 =2.000, rk3 =2.000, &end # distance constraint number 103 &rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.035, r2 = 3.335, r3 = 3.435, r4 = 5.435, rk2 =10.000, rk3 =10.000, &end # distance constraint number 104 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.093, r2 = 2.593, r3 = 2.693, r4 = 4.693, rk2 =10.000, rk3 =10.000, &end # distance constraint number 105 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.017, r2 = 3.517, r3 = 3.649, r4 = 5.649, rk2 =10.000, rk3 =10.000, &end # distance constraint number 106 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.039, r2 = 3.439, r3 = 3.615, r4 = 5.615, rk2 =10.000, rk3 =10.000, &end # distance constraint number 107 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.011, r2 = 2.711, r3 = 2.829, r4 = 4.829, rk2 =10.000, rk3 =10.000, &end # distance constraint number 108 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.035, r2 = 2.135, r3 = 2.235, r4 = 4.235, rk2 =10.000, rk3 =10.000, &end # distance constraint number 109 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.082, r2 = 2.282, r3 = 2.382, r4 = 4.382, rk2 =10.000, rk3 =10.000, &end # distance constraint number 110 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.013, r2 = 2.313, r3 = 2.413, r4 = 4.413, rk2 =10.000, rk3 =10.000, &end # distance constraint number 111 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.035, r2 = 2.735, r3 = 2.845, r4 = 4.845, rk2 =10.000, rk3 =10.000, &end # distance constraint number 112 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.032, r2 = 2.532, r3 = 2.632, r4 = 4.632, rk2 =10.000, rk3 =10.000, &end # distance constraint number 113 &rst iat = 19, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.078, r2 = 3.978, r3 = 4.367, r4 = 6.367, rk2 =5.000, rk3 =5.000, &end # distance constraint number 114 &rst iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.018, r2 = 2.818, r3 = 2.918, r4 = 4.918, rk2 =10.000, rk3 =10.000, &end # distance constraint number 115 &rst iat = 19, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.078, r2 = 3.178, r3 = 3.312, r4 = 5.312, rk2 =10.000, rk3 =10.000, &end # distance constraint number 116 &rst iat = 19, 17, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.045, r2 = 3.245, r3 = 3.345, r4 = 5.345, rk2 =10.000, rk3 =10.000, &end # distance constraint number 117 &rst iat = 19, 17, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.033, r2 = 2.733, r3 = 2.833, r4 = 4.833, rk2 =10.000, rk3 =10.000, &end # distance constraint number 118 &rst iat = 19, 19, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.030, r2 = 3.430, r3 = 3.530, r4 = 5.530, rk2 =10.000, rk3 =10.000, &end # distance constraint number 119 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.085, r2 = 3.485, r3 = 3.735, r4 = 5.735, rk2 =10.000, rk3 =10.000, &end # distance constraint number 120 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.054, r2 = 3.754, r3 = 4.269, r4 = 6.269, rk2 =5.000, rk3 =5.000, &end # distance constraint number 121 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.025, r2 = 2.625, r3 = 2.758, r4 = 4.758, rk2 =10.000, rk3 =10.000, &end # distance constraint number 122 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.033, r2 = 2.433, r3 = 2.573, r4 = 4.573, rk2 =10.000, rk3 =10.000, &end # distance constraint number 123 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.052, r2 = 3.652, r3 = 4.431, r4 = 6.431, rk2 =5.000, rk3 =5.000, &end # distance constraint number 124 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.032, r2 = 2.332, r3 = 2.432, r4 = 4.432, rk2 =10.000, rk3 =10.000, &end # distance constraint number 125 # distance constraint number 126 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.089, r2 = 2.589, r3 = 2.785, r4 = 4.785, rk2 =10.000, rk3 =10.000, &end # distance constraint number 127 &rst iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.060, r2 = 2.660, r3 = 2.760, r4 = 4.760, rk2 =10.000, rk3 =10.000, &end # distance constraint number 128 &rst iat = 21, 19, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.097, r2 = 2.797, r3 = 3.079, r4 = 5.079, rk2 =10.000, rk3 =10.000, &end # distance constraint number 129 # distance constraint number 130 &rst iat = 21, 19, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.037, r2 = 2.537, r3 = 2.637, r4 = 4.637, rk2 =10.000, rk3 =10.000, &end # distance constraint number 131 &rst iat = 21, 21, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.072, r2 = 3.572, r3 = 3.971, r4 = 5.971, rk2 =7.000, rk3 =7.000, &end # distance constraint number 132 &rst iat = 21, 21, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.095, r2 = 3.195, r3 = 3.295, r4 = 5.295, rk2 =10.000, rk3 =10.000, &end # distance constraint number 133 &rst iat = 21, 19, iresid = 1, atnam(1)='H5',atnam(2)='H8', r1 = 0.005, r2 = 3.505, r3 = 3.605, r4 = 5.605, rk2 =10.000, rk3 =10.000, &end # distance constraint number 134 &rst iat = 21, 19, iresid = 1, atnam(1)='H5',atnam(2)='H2''1', r1 = 0.052, r2 = 3.252, r3 = 3.418, r4 = 5.418, rk2 =10.000, rk3 =10.000, &end # distance constraint number 135 &rst iat = 21, 19, iresid = 1, atnam(1)='H5',atnam(2)='H2''2', r1 = 0.072, r2 = 2.972, r3 = 3.072, r4 = 5.072, rk2 =10.000, rk3 =10.000, &end # distance constraint number 136 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.064, r2 = 3.664, r3 = 3.822, r4 = 5.822, rk2 =10.000, rk3 =10.000, &end # distance constraint number 137 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.034, r2 = 3.034, r3 = 3.256, r4 = 5.256, rk2 =10.000, rk3 =10.000, &end # distance constraint number 138 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.038, r2 = 3.738, r3 = 3.952, r4 = 5.952, rk2 =7.000, rk3 =7.000, &end # distance constraint number 139 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.088, r2 = 2.888, r3 = 3.022, r4 = 5.022, rk2 =10.000, rk3 =10.000, &end # distance constraint number 140 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.088, r2 = 2.088, r3 = 2.232, r4 = 4.232, rk2 =10.000, rk3 =10.000, &end # distance constraint number 141 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 0.051, r2 = 4.551, r3 = 6.063, r4 = 8.063, rk2 =2.000, rk3 =2.000, &end # distance constraint number 142 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.023, r2 = 2.323, r3 = 2.423, r4 = 4.423, rk2 =10.000, rk3 =10.000, &end # distance constraint number 143 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.045, r2 = 3.145, r3 = 3.432, r4 = 5.432, rk2 =10.000, rk3 =10.000, &end # distance constraint number 144 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.078, r2 = 2.278, r3 = 2.378, r4 = 4.378, rk2 =10.000, rk3 =10.000, &end # distance constraint number 145 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.090, r2 = 2.990, r3 = 3.110, r4 = 5.110, rk2 =10.000, rk3 =10.000, &end # distance constraint number 146 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.097, r2 = 2.797, r3 = 2.909, r4 = 4.909, rk2 =10.000, rk3 =10.000, &end # distance constraint number 147 &rst iat = 23, 21, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.083, r2 = 3.283, r3 = 3.442, r4 = 5.442, rk2 =10.000, rk3 =10.000, &end # distance constraint number 148 &rst iat = 23, 21, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2', r1 = 0.007, r2 = 2.907, r3 = 3.206, r4 = 5.206, rk2 =10.000, rk3 =10.000, &end # distance constraint number 149 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.076, r2 = 3.276, r3 = 3.701, r4 = 5.701, rk2 =10.000, rk3 =10.000, &end # distance constraint number 150 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.060, r2 = 3.060, r3 = 3.487, r4 = 5.487, rk2 =10.000, rk3 =10.000, &end # distance constraint number 151 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.053, r2 = 2.553, r3 = 2.653, r4 = 4.653, rk2 =10.000, rk3 =10.000, &end # distance constraint number 152 &rst iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.023, r2 = 3.323, r3 = 3.560, r4 = 5.560, rk2 =10.000, rk3 =10.000, &end # distance constraint number 153 &rst iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.021, r2 = 3.021, r3 = 3.326, r4 = 5.326, rk2 =10.000, rk3 =10.000, &end # distance constraint number 154 &rst iat = 329 , 297, r1 = 0.040, r2 = 3.140, r3 = 3.907, r4 = 5.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 155 &rst iat = 329 , 299, r1 = 0.025, r2 = 4.025, r3 = 4.535, r4 = 6.135, rk2 =10.000, rk3 =10.000, &end # distance constraint number 156 &rst iat = 329 , 308, r1 = 0.024, r2 = 3.724, r3 = 4.283, r4 = 5.883, rk2 =10.000, rk3 =10.000, &end # distance constraint number 157 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.068, r2 = 2.468, r3 = 2.568, r4 = 4.568, rk2 =10.000, rk3 =10.000, &end # distance constraint number 158 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.072, r2 = 3.072, r3 = 3.172, r4 = 5.172, rk2 =10.000, rk3 =10.000, &end # distance constraint number 159 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.080, r2 = 2.980, r3 = 3.317, r4 = 5.317, rk2 =10.000, rk3 =10.000, &end # distance constraint number 160 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.046, r2 = 2.946, r3 = 3.124, r4 = 5.124, rk2 =10.000, rk3 =10.000, &end # distance constraint number 161 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.000, r2 = 1.950, r3 = 2.050, r4 = 4.050, rk2 =10.000, rk3 =10.000, &end # distance constraint number 162 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.062, r2 = 2.362, r3 = 2.462, r4 = 4.462, rk2 =10.000, rk3 =10.000, &end # distance constraint number 163 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.037, r2 = 2.837, r3 = 2.973, r4 = 4.973, rk2 =10.000, rk3 =10.000, &end # distance constraint number 164 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.060, r2 = 2.260, r3 = 2.360, r4 = 4.360, rk2 =10.000, rk3 =10.000, &end # distance constraint number 165 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.016, r2 = 3.416, r3 = 3.580, r4 = 5.580, rk2 =10.000, rk3 =10.000, &end # distance constraint number 166 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.080, r2 = 2.780, r3 = 2.883, r4 = 4.883, rk2 =10.000, rk3 =10.000, &end # distance constraint number 167 &rst iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.058, r2 = 2.958, r3 = 3.062, r4 = 5.062, rk2 =10.000, rk3 =10.000, &end # distance constraint number 168 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.071, r2 = 3.671, r3 = 4.599, r4 = 6.599, rk2 =5.000, rk3 =5.000, &end # distance constraint number 169 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.053, r2 = 3.953, r3 = 4.320, r4 = 6.320, rk2 =5.000, rk3 =5.000, &end # distance constraint number 170 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.077, r2 = 3.277, r3 = 3.377, r4 = 5.377, rk2 =10.000, rk3 =10.000, &end # distance constraint number 171 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.095, r2 = 3.395, r3 = 3.535, r4 = 5.535, rk2 =10.000, rk3 =10.000, &end # distance constraint number 172 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.033, r2 = 3.433, r3 = 3.727, r4 = 5.727, rk2 =10.000, rk3 =10.000, &end # distance constraint number 173 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.006, r2 = 3.106, r3 = 3.214, r4 = 5.214, rk2 =10.000, rk3 =10.000, &end # distance constraint number 174 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.062, r2 = 2.962, r3 = 3.062, r4 = 5.062, rk2 =10.000, rk3 =10.000, &end # distance constraint number 175 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.000, r2 = 2.200, r3 = 2.300, r4 = 4.300, rk2 =10.000, rk3 =10.000, &end # distance constraint number 176 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.098, r2 = 2.498, r3 = 2.598, r4 = 4.598, rk2 =10.000, rk3 =10.000, &end # distance constraint number 177 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.055, r2 = 2.255, r3 = 2.355, r4 = 4.355, rk2 =10.000, rk3 =10.000, &end # distance constraint number 178 # distance constraint number 179 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.073, r2 = 3.973, r3 = 4.192, r4 = 6.192, rk2 =5.000, rk3 =5.000, &end # distance constraint number 180 # distance constraint number 181 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.045, r2 = 3.145, r3 = 3.345, r4 = 5.345, rk2 =10.000, rk3 =10.000, &end # distance constraint number 182 &rst iat = 4, 2, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2', r1 = 0.050, r2 = 4.350, r3 = 4.495, r4 = 6.495, rk2 =2.000, rk3 =2.000, &end # distance constraint number 183 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.075, r2 = 3.675, r3 = 3.805, r4 = 5.805, rk2 =10.000, rk3 =10.000, &end # distance constraint number 184 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.052, r2 = 3.852, r3 = 3.963, r4 = 5.963, rk2 =7.000, rk3 =7.000, &end # distance constraint number 185 # distance constraint number 186 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.022, r2 = 2.722, r3 = 2.893, r4 = 4.893, rk2 =10.000, rk3 =10.000, &end # distance constraint number 187 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.020, r2 = 3.520, r3 = 3.620, r4 = 5.620, rk2 =10.000, rk3 =10.000, &end # distance constraint number 188 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.085, r2 = 2.185, r3 = 2.285, r4 = 4.285, rk2 =10.000, rk3 =10.000, &end # distance constraint number 189 # distance constraint number 190 # distance constraint number 191 &rst iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.020, r2 = 2.520, r3 = 2.620, r4 = 4.620, rk2 =10.000, rk3 =10.000, &end # distance constraint number 192 &rst iat = 140 , 105, igr1 = 141, 142, 143, r1 = 0.079, r2 = 4.679, r3 = 5.391, r4 = 6.991, rk2 =5.000, rk3 =5.000, &end # distance constraint number 193 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.080, r2 = 3.780, r3 = 3.880, r4 = 5.880, rk2 =10.000, rk3 =10.000, &end # distance constraint number 194 &rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.059, r2 = 4.459, r3 = 4.586, r4 = 6.586, rk2 =5.000, rk3 =5.000, &end # distance constraint number 195 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.050, r2 = 3.450, r3 = 3.895, r4 = 5.895, rk2 =7.000, rk3 =7.000, &end # distance constraint number 196 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.015, r2 = 2.415, r3 = 2.615, r4 = 4.615, rk2 =10.000, rk3 =10.000, &end # distance constraint number 197 &rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.073, r2 = 3.973, r3 = 4.192, r4 = 6.192, rk2 =5.000, rk3 =5.000, &end # distance constraint number 198 # distance constraint number 199 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.045, r2 = 3.145, r3 = 3.345, r4 = 5.345, rk2 =10.000, rk3 =10.000, &end # distance constraint number 200 &rst iat = 17, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2', r1 = 0.050, r2 = 4.350, r3 = 4.495, r4 = 6.495, rk2 =5.000, rk3 =5.000, &end # distance constraint number 201 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.075, r2 = 3.675, r3 = 3.805, r4 = 5.805, rk2 =10.000, rk3 =10.000, &end # distance constraint number 202 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.052, r2 = 3.852, r3 = 3.963, r4 = 5.963, rk2 =7.000, rk3 =7.000, &end # distance constraint number 203 # distance constraint number 204 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.022, r2 = 2.722, r3 = 2.893, r4 = 4.893, rk2 =10.000, rk3 =10.000, &end # distance constraint number 205 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.020, r2 = 3.520, r3 = 3.620, r4 = 5.620, rk2 =10.000, rk3 =10.000, &end # distance constraint number 206 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.085, r2 = 2.185, r3 = 2.285, r4 = 4.285, rk2 =10.000, rk3 =10.000, &end # distance constraint number 207 # distance constraint number 208 # distance constraint number 209 &rst iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.020, r2 = 2.520, r3 = 2.620, r4 = 4.620, rk2 =10.000, rk3 =10.000, &end # distance constraint number 210 &rst iat = 329 , 294, r1 = 0.079, r2 = 4.679, r3 = 5.391, r4 = 6.991, rk2 =5.000, rk3 =5.000, &end # distance constraint number 211 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.080, r2 = 3.780, r3 = 3.880, r4 = 5.880, rk2 =10.000, rk3 =10.000, &end # distance constraint number 212 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.059, r2 = 4.459, r3 = 4.586, r4 = 6.586, rk2 =5.000, rk3 =5.000, &end # distance constraint number 213 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.050, r2 = 3.450, r3 = 3.895, r4 = 5.895, rk2 =7.000, rk3 =7.000, &end # distance constraint number 214 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.015, r2 = 2.415, r3 = 2.615, r4 = 4.615, rk2 =10.000, rk3 =10.000, &end # distance constraint number 215 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 0.090, r2 = 4.490, r3 = 4.690, r4 = 6.690, rk2 =5.000, rk3 =5.000, &end # distance constraint number 216 &rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.095, r2 = 4.395, r3 = 4.595, r4 = 6.595, rk2 =10.000, rk3 =10.000, &end # distance constraint number 217 &rst iat = 8, 6, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.045, r2 = 3.045, r3 = 3.245, r4 = 5.245, rk2 =10.000, rk3 =10.000, &end # distance constraint number 218 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.000, r2 = 2.600, r3 = 2.800, r4 = 4.800, rk2 =10.000, rk3 =10.000, &end # distance constraint number 219 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.025, r2 = 2.625, r3 = 2.825, r4 = 4.825, rk2 =10.000, rk3 =10.000, &end # distance constraint number 220 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 0.090, r2 = 4.490, r3 = 4.690, r4 = 6.690, rk2 =5.000, rk3 =5.000, &end # distance constraint number 221 &rst iat = 19, 19, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.095, r2 = 4.395, r3 = 4.595, r4 = 6.595, rk2 =10.000, rk3 =10.000, &end # distance constraint number 222 &rst iat = 21, 19, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.045, r2 = 3.045, r3 = 3.245, r4 = 5.245, rk2 =10.000, rk3 =10.000, &end # distance constraint number 223 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.000, r2 = 2.600, r3 = 2.800, r4 = 4.800, rk2 =10.000, rk3 =10.000, &end # distance constraint number 224 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.025, r2 = 2.625, r3 = 2.825, r4 = 4.825, rk2 =10.000, rk3 =10.000, &end
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