NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
7177 | 1k2k | 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
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