NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652349 |
6zl2   |
34524 | cing | 1-original | 2 | AMBER | dihedral angle |
# 1161 atoms read from pdb file reference.pdb. # 1 DT CHI: (1 DT5 O4')-(1 DT5 C1')-(1 DT5 N1)-(1 DT5 C2) 170.0 310.0 &rst iat = 8, 9, 11, 23, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, rk2=200.0, rk3=200.0, / # 2 DG CHI: (2 DG O4')-(2 DG C1')-(2 DG N9)-(2 DG C4) 170.0 310.0 &rst iat = 40, 41, 43, 57, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 3 DA CHI: (3 DA O4')-(3 DA C1')-(3 DA N9)-(3 DA C4) 170.0 310.0 &rst iat = 73, 74, 76, 89, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 4 DG CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 170.0 310.0 &rst iat = 105, 106, 108, 122, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 5 DG CHI: (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 170.0 310.0 &rst iat = 138, 139, 141, 155, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 6 DG CHI: (6 DG O4')-(6 DG C1')-(6 DG N9)-(6 DG C4) 170.0 310.0 &rst iat = 171, 172, 174, 188, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 7 DT CHI: (7 DT O4')-(7 DT C1')-(7 DT N1)-(7 DT C2) 170.0 310.0 &rst iat = 204, 205, 207, 219, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 8 DG CHI: (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 170.0 310.0 &rst iat = 236, 237, 239, 253, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 9 DG CHI: (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 170.0 310.0 &rst iat = 269, 270, 272, 286, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 10 DG CHI: (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 170.0 310.0 &rst iat = 302, 303, 305, 319, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 11 DT CHI: (11 DT O4')-(11 DT C1')-(11 DT N1)-(11 DT C2) 170.0 310.0 &rst iat = 335, 336, 338, 350, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 12 DA CHI: (12 DA O4')-(12 DA C1')-(12 DA N9)-(12 DA C4) 170.0 310.0 &rst iat = 367, 368, 370, 383, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 13 DG CHI: (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) 170.0 310.0 &rst iat = 399, 400, 402, 416, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 14 DG CHI: (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 170.0 310.0 &rst iat = 432, 433, 435, 449, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 15 DG CHI: (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4) 170.0 310.0 &rst iat = 465, 466, 468, 482, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 16 DT CHI: (16 DT O4')-(16 DT C1')-(16 DT N1)-(16 DT C2) 170.0 310.0 &rst iat = 498, 499, 501, 513, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 17 DG CHI: (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) 170.0 310.0 &rst iat = 530, 531, 533, 547, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 18 DG CHI: (18 DG O4')-(18 DG C1')-(18 DG N9)-(18 DG C4) 170.0 310.0 &rst iat = 563, 564, 566, 580, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 19 DG CHI: (19 DG O4')-(19 DG C1')-(19 DG N9)-(19 DG C4) 170.0 310.0 &rst iat = 596, 597, 599, 613, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 20 DC CHI: (20 DC O4')-(20 DC C1')-(20 DC N1)-(20 DC C2) 170.0 310.0 &rst iat = 629, 630, 632, 642, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 21 DT CHI: (21 DT O4')-(21 DT C1')-(21 DT N1)-(21 DT C2) 170.0 310.0 &rst iat = 659, 660, 662, 674, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 22 DA CHI: (22 DA O4')-(22 DA C1')-(22 DA N9)-(22 DA C4) 170.0 310.0 &rst iat = 691, 692, 694, 707, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 23 DG CHI: (23 DG O4')-(23 DG C1')-(23 DG N9)-(23 DG C4) 170.0 310.0 &rst iat = 723, 724, 726, 740, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 24 DT CHI: (24 DT O4')-(24 DT C1')-(24 DT N1)-(24 DT C2) 170.0 310.0 &rst iat = 756, 757, 759, 771, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 25 DC CHI: (25 DC O4')-(25 DC C1')-(25 DC N1)-(25 DC C2) 170.0 310.0 &rst iat = 788, 789, 791, 801, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 26 DA CHI: (26 DA O4')-(26 DA C1')-(26 DA N9)-(26 DA C4) 170.0 310.0 &rst iat = 818, 819, 821, 834, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 27 DT CHI: (27 DT O4')-(27 DT C1')-(27 DT N1)-(27 DT C2) 170.0 310.0 &rst iat = 850, 851, 853, 865, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 28 DT CHI: (28 DT O4')-(28 DT C1')-(28 DT N1)-(28 DT C2) 170.0 310.0 &rst iat = 882, 883, 885, 897, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 29 DT CHI: (29 DT O4')-(29 DT C1')-(29 DT N1)-(29 DT C2) 170.0 310.0 &rst iat = 914, 915, 917, 929, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 30 DT CHI: (30 DT O4')-(30 DT C1')-(30 DT N1)-(30 DT C2) 170.0 310.0 &rst iat = 946, 947, 949, 961, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 31 DG CHI: (31 DG O4')-(31 DG C1')-(31 DG N9)-(31 DG C4) 170.0 310.0 &rst iat = 978, 979, 981, 995, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 32 DA CHI: (32 DA O4')-(32 DA C1')-(32 DA N9)-(32 DA C4) 170.0 310.0 &rst iat = 1011, 1012, 1014, 1027, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 33 DC CHI: (33 DC O4')-(33 DC C1')-(33 DC N1)-(33 DC C2) 170.0 310.0 &rst iat = 1043, 1044, 1046, 1056, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 34 DT CHI: (34 DT O4')-(34 DT C1')-(34 DT N1)-(34 DT C2) 170.0 310.0 &rst iat = 1073, 1074, 1076, 1088, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 35 DA CHI: (35 DA O4')-(35 DA C1')-(35 DA N9)-(35 DA C4) 170.0 310.0 &rst iat = 1105, 1106, 1108, 1121, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 36 DG CHI: (36 DG3 O4')-(36 DG3 C1')-(36 DG3 N9)-(36 DG3 C4) 170.0 310.0 &rst iat = 1137, 1138, 1140, 1154, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 1 DT NU0: (1 DT5 C4')-(1 DT5 O4')-(1 DT5 C1')-(1 DT5 C2') -36.5 -6.5 &rst iat = 6, 8, 9, 27, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 1 DT NU1: (1 DT5 O4')-(1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3') 19.8 49.8 &rst iat = 8, 9, 27, 25, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 1 DT NU2: (1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4') -49.8 -19.8 &rst iat = 9, 27, 25, 6, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 1 DT NU3: (1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4')-(1 DT5 O4') 6.5 36.5 &rst iat = 27, 25, 6, 8, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 1 DT NU4: (1 DT5 C3')-(1 DT5 C4')-(1 DT5 O4')-(1 DT5 C1') -15.0 15.0 &rst iat = 25, 6, 8, 9, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 2 DG NU0: (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -36.5 -6.5 &rst iat = 38, 40, 41, 60, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 2 DG NU1: (2 DG O4')-(2 DG C1')-(2 DG C2')-(2 DG C3') 19.8 49.8 &rst iat = 40, 41, 60, 58, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 2 DG NU2: (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -49.8 -19.8 &rst iat = 41, 60, 58, 38, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 2 DG NU3: (2 DG C2')-(2 DG C3')-(2 DG C4')-(2 DG O4') 6.5 36.5 &rst iat = 60, 58, 38, 40, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 2 DG NU4: (2 DG C3')-(2 DG C4')-(2 DG O4')-(2 DG C1') -15.0 15.0 &rst iat = 58, 38, 40, 41, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 3 DA NU0: (3 DA C4')-(3 DA O4')-(3 DA C1')-(3 DA C2') -36.5 -6.5 &rst iat = 71, 73, 74, 92, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 3 DA NU1: (3 DA O4')-(3 DA C1')-(3 DA C2')-(3 DA C3') 19.8 49.8 &rst iat = 73, 74, 92, 90, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 3 DA NU2: (3 DA C1')-(3 DA C2')-(3 DA C3')-(3 DA C4') -49.8 -19.8 &rst iat = 74, 92, 90, 71, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 3 DA NU3: (3 DA C2')-(3 DA C3')-(3 DA C4')-(3 DA O4') 6.5 36.5 &rst iat = 92, 90, 71, 73, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 3 DA NU4: (3 DA C3')-(3 DA C4')-(3 DA O4')-(3 DA C1') -15.0 15.0 &rst iat = 90, 71, 73, 74, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 4 DG NU0: (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -36.5 -6.5 &rst iat = 103, 105, 106, 125, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 4 DG NU1: (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3') 19.8 49.8 &rst iat = 105, 106, 125, 123, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 4 DG NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -49.8 -19.8 &rst iat = 106, 125, 123, 103, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 4 DG NU3: (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') 6.5 36.5 &rst iat = 125, 123, 103, 105, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 4 DG NU4: (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -15.0 15.0 &rst iat = 123, 103, 105, 106, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 5 DG NU0: (5 DG C4')-(5 DG O4')-(5 DG C1')-(5 DG C2') -36.5 -6.5 &rst iat = 136, 138, 139, 158, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 5 DG NU1: (5 DG O4')-(5 DG C1')-(5 DG C2')-(5 DG C3') 19.8 49.8 &rst iat = 138, 139, 158, 156, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 5 DG NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -49.8 -19.8 &rst iat = 139, 158, 156, 136, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 5 DG NU3: (5 DG C2')-(5 DG C3')-(5 DG C4')-(5 DG O4') 6.5 36.5 &rst iat = 158, 156, 136, 138, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 5 DG NU4: (5 DG C3')-(5 DG C4')-(5 DG O4')-(5 DG C1') -15.0 15.0 &rst iat = 156, 136, 138, 139, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 6 DG NU0: (6 DG C4')-(6 DG O4')-(6 DG C1')-(6 DG C2') -36.5 -6.5 &rst iat = 169, 171, 172, 191, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 6 DG NU1: (6 DG O4')-(6 DG C1')-(6 DG C2')-(6 DG C3') 19.8 49.8 &rst iat = 171, 172, 191, 189, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 6 DG NU2: (6 DG C1')-(6 DG C2')-(6 DG C3')-(6 DG C4') -49.8 -19.8 &rst iat = 172, 191, 189, 169, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 6 DG NU3: (6 DG C2')-(6 DG C3')-(6 DG C4')-(6 DG O4') 6.5 36.5 &rst iat = 191, 189, 169, 171, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 6 DG NU4: (6 DG C3')-(6 DG C4')-(6 DG O4')-(6 DG C1') -15.0 15.0 &rst iat = 189, 169, 171, 172, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 7 DT NU0: (7 DT C4')-(7 DT O4')-(7 DT C1')-(7 DT C2') -36.5 -6.5 &rst iat = 202, 204, 205, 223, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 7 DT NU1: (7 DT O4')-(7 DT C1')-(7 DT C2')-(7 DT C3') 19.8 49.8 &rst iat = 204, 205, 223, 221, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 7 DT NU2: (7 DT C1')-(7 DT C2')-(7 DT C3')-(7 DT C4') -49.8 -19.8 &rst iat = 205, 223, 221, 202, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 7 DT NU3: (7 DT C2')-(7 DT C3')-(7 DT C4')-(7 DT O4') 6.5 36.5 &rst iat = 223, 221, 202, 204, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 7 DT NU4: (7 DT C3')-(7 DT C4')-(7 DT O4')-(7 DT C1') -15.0 15.0 &rst iat = 221, 202, 204, 205, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 8 DG NU0: (8 DG C4')-(8 DG O4')-(8 DG C1')-(8 DG C2') -36.5 -6.5 &rst iat = 234, 236, 237, 256, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 8 DG NU1: (8 DG O4')-(8 DG C1')-(8 DG C2')-(8 DG C3') 19.8 49.8 &rst iat = 236, 237, 256, 254, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 8 DG NU2: (8 DG C1')-(8 DG C2')-(8 DG C3')-(8 DG C4') -49.8 -19.8 &rst iat = 237, 256, 254, 234, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 8 DG NU3: (8 DG C2')-(8 DG C3')-(8 DG C4')-(8 DG O4') 6.5 36.5 &rst iat = 256, 254, 234, 236, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 8 DG NU4: (8 DG C3')-(8 DG C4')-(8 DG O4')-(8 DG C1') -15.0 15.0 &rst iat = 254, 234, 236, 237, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 9 DG NU0: (9 DG C4')-(9 DG O4')-(9 DG C1')-(9 DG C2') -36.5 -6.5 &rst iat = 267, 269, 270, 289, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 9 DG NU1: (9 DG O4')-(9 DG C1')-(9 DG C2')-(9 DG C3') 19.8 49.8 &rst iat = 269, 270, 289, 287, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 9 DG NU2: (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -49.8 -19.8 &rst iat = 270, 289, 287, 267, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 9 DG NU3: (9 DG C2')-(9 DG C3')-(9 DG C4')-(9 DG O4') 6.5 36.5 &rst iat = 289, 287, 267, 269, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 9 DG NU4: (9 DG C3')-(9 DG C4')-(9 DG O4')-(9 DG C1') -15.0 15.0 &rst iat = 287, 267, 269, 270, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 10 DG NU0: (10 DG C4')-(10 DG O4')-(10 DG C1')-(10 DG C2') -36.5 -6.5 &rst iat = 300, 302, 303, 322, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 10 DG NU1: (10 DG O4')-(10 DG C1')-(10 DG C2')-(10 DG C3') 19.8 49.8 &rst iat = 302, 303, 322, 320, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 10 DG NU2: (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -49.8 -19.8 &rst iat = 303, 322, 320, 300, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 10 DG NU3: (10 DG C2')-(10 DG C3')-(10 DG C4')-(10 DG O4') 6.5 36.5 &rst iat = 322, 320, 300, 302, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 10 DG NU4: (10 DG C3')-(10 DG C4')-(10 DG O4')-(10 DG C1') -15.0 15.0 &rst iat = 320, 300, 302, 303, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 11 DT NU0: (11 DT C4')-(11 DT O4')-(11 DT C1')-(11 DT C2') -36.5 -6.5 &rst iat = 333, 335, 336, 354, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 11 DT NU1: (11 DT O4')-(11 DT C1')-(11 DT C2')-(11 DT C3') 19.8 49.8 &rst iat = 335, 336, 354, 352, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 11 DT NU2: (11 DT C1')-(11 DT C2')-(11 DT C3')-(11 DT C4') -49.8 -19.8 &rst iat = 336, 354, 352, 333, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 11 DT NU3: (11 DT C2')-(11 DT C3')-(11 DT C4')-(11 DT O4') 6.5 36.5 &rst iat = 354, 352, 333, 335, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 11 DT NU4: (11 DT C3')-(11 DT C4')-(11 DT O4')-(11 DT C1') -15.0 15.0 &rst iat = 352, 333, 335, 336, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 12 DA NU0: (12 DA C4')-(12 DA O4')-(12 DA C1')-(12 DA C2') -36.5 -6.5 &rst iat = 365, 367, 368, 386, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 12 DA NU1: (12 DA O4')-(12 DA C1')-(12 DA C2')-(12 DA C3') 19.8 49.8 &rst iat = 367, 368, 386, 384, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 12 DA NU2: (12 DA C1')-(12 DA C2')-(12 DA C3')-(12 DA C4') -49.8 -19.8 &rst iat = 368, 386, 384, 365, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 12 DA NU3: (12 DA C2')-(12 DA C3')-(12 DA C4')-(12 DA O4') 6.5 36.5 &rst iat = 386, 384, 365, 367, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 12 DA NU4: (12 DA C3')-(12 DA C4')-(12 DA O4')-(12 DA C1') -15.0 15.0 &rst iat = 384, 365, 367, 368, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 13 DG NU0: (13 DG C4')-(13 DG O4')-(13 DG C1')-(13 DG C2') -36.5 -6.5 &rst iat = 397, 399, 400, 419, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 13 DG NU1: (13 DG O4')-(13 DG C1')-(13 DG C2')-(13 DG C3') 19.8 49.8 &rst iat = 399, 400, 419, 417, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 13 DG NU2: (13 DG C1')-(13 DG C2')-(13 DG C3')-(13 DG C4') -49.8 -19.8 &rst iat = 400, 419, 417, 397, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 13 DG NU3: (13 DG C2')-(13 DG C3')-(13 DG C4')-(13 DG O4') 6.5 36.5 &rst iat = 419, 417, 397, 399, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 13 DG NU4: (13 DG C3')-(13 DG C4')-(13 DG O4')-(13 DG C1') -15.0 15.0 &rst iat = 417, 397, 399, 400, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 14 DG NU0: (14 DG C4')-(14 DG O4')-(14 DG C1')-(14 DG C2') -36.5 -6.5 &rst iat = 430, 432, 433, 452, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 14 DG NU1: (14 DG O4')-(14 DG C1')-(14 DG C2')-(14 DG C3') 19.8 49.8 &rst iat = 432, 433, 452, 450, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 14 DG NU2: (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -49.8 -19.8 &rst iat = 433, 452, 450, 430, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 14 DG NU3: (14 DG C2')-(14 DG C3')-(14 DG C4')-(14 DG O4') 6.5 36.5 &rst iat = 452, 450, 430, 432, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 14 DG NU4: (14 DG C3')-(14 DG C4')-(14 DG O4')-(14 DG C1') -15.0 15.0 &rst iat = 450, 430, 432, 433, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 15 DG NU0: (15 DG C4')-(15 DG O4')-(15 DG C1')-(15 DG C2') -36.5 -6.5 &rst iat = 463, 465, 466, 485, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 15 DG NU1: (15 DG O4')-(15 DG C1')-(15 DG C2')-(15 DG C3') 19.8 49.8 &rst iat = 465, 466, 485, 483, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 15 DG NU2: (15 DG C1')-(15 DG C2')-(15 DG C3')-(15 DG C4') -49.8 -19.8 &rst iat = 466, 485, 483, 463, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 15 DG NU3: (15 DG C2')-(15 DG C3')-(15 DG C4')-(15 DG O4') 6.5 36.5 &rst iat = 485, 483, 463, 465, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 15 DG NU4: (15 DG C3')-(15 DG C4')-(15 DG O4')-(15 DG C1') -15.0 15.0 &rst iat = 483, 463, 465, 466, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 16 DT NU0: (16 DT C4')-(16 DT O4')-(16 DT C1')-(16 DT C2') -36.5 -6.5 &rst iat = 496, 498, 499, 517, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 16 DT NU1: (16 DT O4')-(16 DT C1')-(16 DT C2')-(16 DT C3') 19.8 49.8 &rst iat = 498, 499, 517, 515, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 16 DT NU2: (16 DT C1')-(16 DT C2')-(16 DT C3')-(16 DT C4') -49.8 -19.8 &rst iat = 499, 517, 515, 496, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 16 DT NU3: (16 DT C2')-(16 DT C3')-(16 DT C4')-(16 DT O4') 6.5 36.5 &rst iat = 517, 515, 496, 498, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 16 DT NU4: (16 DT C3')-(16 DT C4')-(16 DT O4')-(16 DT C1') -15.0 15.0 &rst iat = 515, 496, 498, 499, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 17 DG NU0: (17 DG C4')-(17 DG O4')-(17 DG C1')-(17 DG C2') -36.5 -6.5 &rst iat = 528, 530, 531, 550, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 17 DG NU1: (17 DG O4')-(17 DG C1')-(17 DG C2')-(17 DG C3') 19.8 49.8 &rst iat = 530, 531, 550, 548, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 17 DG NU2: (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -49.8 -19.8 &rst iat = 531, 550, 548, 528, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 17 DG NU3: (17 DG C2')-(17 DG C3')-(17 DG C4')-(17 DG O4') 6.5 36.5 &rst iat = 550, 548, 528, 530, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 17 DG NU4: (17 DG C3')-(17 DG C4')-(17 DG O4')-(17 DG C1') -15.0 15.0 &rst iat = 548, 528, 530, 531, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 18 DG NU0: (18 DG C4')-(18 DG O4')-(18 DG C1')-(18 DG C2') -36.5 -6.5 &rst iat = 561, 563, 564, 583, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 18 DG NU1: (18 DG O4')-(18 DG C1')-(18 DG C2')-(18 DG C3') 19.8 49.8 &rst iat = 563, 564, 583, 581, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 18 DG NU2: (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -49.8 -19.8 &rst iat = 564, 583, 581, 561, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 18 DG NU3: (18 DG C2')-(18 DG C3')-(18 DG C4')-(18 DG O4') 6.5 36.5 &rst iat = 583, 581, 561, 563, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 18 DG NU4: (18 DG C3')-(18 DG C4')-(18 DG O4')-(18 DG C1') -15.0 15.0 &rst iat = 581, 561, 563, 564, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 19 DG NU0: (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -36.5 -6.5 &rst iat = 594, 596, 597, 616, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 19 DG NU1: (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3') 19.8 49.8 &rst iat = 596, 597, 616, 614, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 19 DG NU2: (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -49.8 -19.8 &rst iat = 597, 616, 614, 594, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 19 DG NU3: (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4') 6.5 36.5 &rst iat = 616, 614, 594, 596, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 19 DG NU4: (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -15.0 15.0 &rst iat = 614, 594, 596, 597, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 20 DC NU0: (20 DC C4')-(20 DC O4')-(20 DC C1')-(20 DC C2') -36.5 -6.5 &rst iat = 627, 629, 630, 646, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 20 DC NU1: (20 DC O4')-(20 DC C1')-(20 DC C2')-(20 DC C3') 19.8 49.8 &rst iat = 629, 630, 646, 644, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 20 DC NU2: (20 DC C1')-(20 DC C2')-(20 DC C3')-(20 DC C4') -49.8 -19.8 &rst iat = 630, 646, 644, 627, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 20 DC NU3: (20 DC C2')-(20 DC C3')-(20 DC C4')-(20 DC O4') 6.5 36.5 &rst iat = 646, 644, 627, 629, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 20 DC NU4: (20 DC C3')-(20 DC C4')-(20 DC O4')-(20 DC C1') -15.0 15.0 &rst iat = 644, 627, 629, 630, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 21 DT NU0: (21 DT C4')-(21 DT O4')-(21 DT C1')-(21 DT C2') -36.5 -6.5 &rst iat = 657, 659, 660, 678, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 21 DT NU1: (21 DT O4')-(21 DT C1')-(21 DT C2')-(21 DT C3') 19.8 49.8 &rst iat = 659, 660, 678, 676, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 21 DT NU2: (21 DT C1')-(21 DT C2')-(21 DT C3')-(21 DT C4') -49.8 -19.8 &rst iat = 660, 678, 676, 657, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 21 DT NU3: (21 DT C2')-(21 DT C3')-(21 DT C4')-(21 DT O4') 6.5 36.5 &rst iat = 678, 676, 657, 659, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 21 DT NU4: (21 DT C3')-(21 DT C4')-(21 DT O4')-(21 DT C1') -15.0 15.0 &rst iat = 676, 657, 659, 660, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 22 DA NU0: (22 DA C4')-(22 DA O4')-(22 DA C1')-(22 DA C2') -36.5 -6.5 &rst iat = 689, 691, 692, 710, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 22 DA NU1: (22 DA O4')-(22 DA C1')-(22 DA C2')-(22 DA C3') 19.8 49.8 &rst iat = 691, 692, 710, 708, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 22 DA NU2: (22 DA C1')-(22 DA C2')-(22 DA C3')-(22 DA C4') -49.8 -19.8 &rst iat = 692, 710, 708, 689, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 22 DA NU3: (22 DA C2')-(22 DA C3')-(22 DA C4')-(22 DA O4') 6.5 36.5 &rst iat = 710, 708, 689, 691, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 22 DA NU4: (22 DA C3')-(22 DA C4')-(22 DA O4')-(22 DA C1') -15.0 15.0 &rst iat = 708, 689, 691, 692, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 23 DG NU0: (23 DG C4')-(23 DG O4')-(23 DG C1')-(23 DG C2') -36.5 -6.5 &rst iat = 721, 723, 724, 743, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 23 DG NU1: (23 DG O4')-(23 DG C1')-(23 DG C2')-(23 DG C3') 19.8 49.8 &rst iat = 723, 724, 743, 741, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 23 DG NU2: (23 DG C1')-(23 DG C2')-(23 DG C3')-(23 DG C4') -49.8 -19.8 &rst iat = 724, 743, 741, 721, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 23 DG NU3: (23 DG C2')-(23 DG C3')-(23 DG C4')-(23 DG O4') 6.5 36.5 &rst iat = 743, 741, 721, 723, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 23 DG NU4: (23 DG C3')-(23 DG C4')-(23 DG O4')-(23 DG C1') -15.0 15.0 &rst iat = 741, 721, 723, 724, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 24 DT NU0: (24 DT C4')-(24 DT O4')-(24 DT C1')-(24 DT C2') -36.5 -6.5 &rst iat = 754, 756, 757, 775, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 24 DT NU1: (24 DT O4')-(24 DT C1')-(24 DT C2')-(24 DT C3') 19.8 49.8 &rst iat = 756, 757, 775, 773, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 24 DT NU2: (24 DT C1')-(24 DT C2')-(24 DT C3')-(24 DT C4') -49.8 -19.8 &rst iat = 757, 775, 773, 754, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 24 DT NU3: (24 DT C2')-(24 DT C3')-(24 DT C4')-(24 DT O4') 6.5 36.5 &rst iat = 775, 773, 754, 756, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 24 DT NU4: (24 DT C3')-(24 DT C4')-(24 DT O4')-(24 DT C1') -15.0 15.0 &rst iat = 773, 754, 756, 757, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 25 DC NU0: (25 DC C4')-(25 DC O4')-(25 DC C1')-(25 DC C2') -36.5 -6.5 &rst iat = 786, 788, 789, 805, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 25 DC NU1: (25 DC O4')-(25 DC C1')-(25 DC C2')-(25 DC C3') 19.8 49.8 &rst iat = 788, 789, 805, 803, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 25 DC NU2: (25 DC C1')-(25 DC C2')-(25 DC C3')-(25 DC C4') -49.8 -19.8 &rst iat = 789, 805, 803, 786, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 25 DC NU3: (25 DC C2')-(25 DC C3')-(25 DC C4')-(25 DC O4') 6.5 36.5 &rst iat = 805, 803, 786, 788, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 25 DC NU4: (25 DC C3')-(25 DC C4')-(25 DC O4')-(25 DC C1') -15.0 15.0 &rst iat = 803, 786, 788, 789, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 26 DA NU0: (26 DA C4')-(26 DA O4')-(26 DA C1')-(26 DA C2') -36.5 -6.5 &rst iat = 816, 818, 819, 837, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 26 DA NU1: (26 DA O4')-(26 DA C1')-(26 DA C2')-(26 DA C3') 19.8 49.8 &rst iat = 818, 819, 837, 835, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 26 DA NU2: (26 DA C1')-(26 DA C2')-(26 DA C3')-(26 DA C4') -49.8 -19.8 &rst iat = 819, 837, 835, 816, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 26 DA NU3: (26 DA C2')-(26 DA C3')-(26 DA C4')-(26 DA O4') 6.5 36.5 &rst iat = 837, 835, 816, 818, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 26 DA NU4: (26 DA C3')-(26 DA C4')-(26 DA O4')-(26 DA C1') -15.0 15.0 &rst iat = 835, 816, 818, 819, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 27 DT NU0: (27 DT C4')-(27 DT O4')-(27 DT C1')-(27 DT C2') -36.5 -6.5 &rst iat = 848, 850, 851, 869, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 27 DT NU1: (27 DT O4')-(27 DT C1')-(27 DT C2')-(27 DT C3') 19.8 49.8 &rst iat = 850, 851, 869, 867, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 27 DT NU2: (27 DT C1')-(27 DT C2')-(27 DT C3')-(27 DT C4') -49.8 -19.8 &rst iat = 851, 869, 867, 848, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 27 DT NU3: (27 DT C2')-(27 DT C3')-(27 DT C4')-(27 DT O4') 6.5 36.5 &rst iat = 869, 867, 848, 850, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 27 DT NU4: (27 DT C3')-(27 DT C4')-(27 DT O4')-(27 DT C1') -15.0 15.0 &rst iat = 867, 848, 850, 851, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 28 DT NU0: (28 DT C4')-(28 DT O4')-(28 DT C1')-(28 DT C2') -36.5 -6.5 &rst iat = 880, 882, 883, 901, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 28 DT NU1: (28 DT O4')-(28 DT C1')-(28 DT C2')-(28 DT C3') 19.8 49.8 &rst iat = 882, 883, 901, 899, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 28 DT NU2: (28 DT C1')-(28 DT C2')-(28 DT C3')-(28 DT C4') -49.8 -19.8 &rst iat = 883, 901, 899, 880, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 28 DT NU3: (28 DT C2')-(28 DT C3')-(28 DT C4')-(28 DT O4') 6.5 36.5 &rst iat = 901, 899, 880, 882, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 28 DT NU4: (28 DT C3')-(28 DT C4')-(28 DT O4')-(28 DT C1') -15.0 15.0 &rst iat = 899, 880, 882, 883, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 29 DT NU0: (29 DT C4')-(29 DT O4')-(29 DT C1')-(29 DT C2') -36.5 -6.5 &rst iat = 912, 914, 915, 933, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 29 DT NU1: (29 DT O4')-(29 DT C1')-(29 DT C2')-(29 DT C3') 19.8 49.8 &rst iat = 914, 915, 933, 931, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 29 DT NU2: (29 DT C1')-(29 DT C2')-(29 DT C3')-(29 DT C4') -49.8 -19.8 &rst iat = 915, 933, 931, 912, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 29 DT NU3: (29 DT C2')-(29 DT C3')-(29 DT C4')-(29 DT O4') 6.5 36.5 &rst iat = 933, 931, 912, 914, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 29 DT NU4: (29 DT C3')-(29 DT C4')-(29 DT O4')-(29 DT C1') -15.0 15.0 &rst iat = 931, 912, 914, 915, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 30 DT NU0: (30 DT C4')-(30 DT O4')-(30 DT C1')-(30 DT C2') -36.5 -6.5 &rst iat = 944, 946, 947, 965, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 30 DT NU1: (30 DT O4')-(30 DT C1')-(30 DT C2')-(30 DT C3') 19.8 49.8 &rst iat = 946, 947, 965, 963, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 30 DT NU2: (30 DT C1')-(30 DT C2')-(30 DT C3')-(30 DT C4') -49.8 -19.8 &rst iat = 947, 965, 963, 944, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 30 DT NU3: (30 DT C2')-(30 DT C3')-(30 DT C4')-(30 DT O4') 6.5 36.5 &rst iat = 965, 963, 944, 946, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 30 DT NU4: (30 DT C3')-(30 DT C4')-(30 DT O4')-(30 DT C1') -15.0 15.0 &rst iat = 963, 944, 946, 947, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 31 DG NU0: (31 DG C4')-(31 DG O4')-(31 DG C1')-(31 DG C2') -36.5 -6.5 &rst iat = 976, 978, 979, 998, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 31 DG NU1: (31 DG O4')-(31 DG C1')-(31 DG C2')-(31 DG C3') 19.8 49.8 &rst iat = 978, 979, 998, 996, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 31 DG NU2: (31 DG C1')-(31 DG C2')-(31 DG C3')-(31 DG C4') -49.8 -19.8 &rst iat = 979, 998, 996, 976, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 31 DG NU3: (31 DG C2')-(31 DG C3')-(31 DG C4')-(31 DG O4') 6.5 36.5 &rst iat = 998, 996, 976, 978, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 31 DG NU4: (31 DG C3')-(31 DG C4')-(31 DG O4')-(31 DG C1') -15.0 15.0 &rst iat = 996, 976, 978, 979, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 32 DA NU0: (32 DA C4')-(32 DA O4')-(32 DA C1')-(32 DA C2') -36.5 -6.5 &rst iat = 1009, 1011, 1012, 1030, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 32 DA NU1: (32 DA O4')-(32 DA C1')-(32 DA C2')-(32 DA C3') 19.8 49.8 &rst iat = 1011, 1012, 1030, 1028, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 32 DA NU2: (32 DA C1')-(32 DA C2')-(32 DA C3')-(32 DA C4') -49.8 -19.8 &rst iat = 1012, 1030, 1028, 1009, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 32 DA NU3: (32 DA C2')-(32 DA C3')-(32 DA C4')-(32 DA O4') 6.5 36.5 &rst iat = 1030, 1028, 1009, 1011, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 32 DA NU4: (32 DA C3')-(32 DA C4')-(32 DA O4')-(32 DA C1') -15.0 15.0 &rst iat = 1028, 1009, 1011, 1012, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 33 DC NU0: (33 DC C4')-(33 DC O4')-(33 DC C1')-(33 DC C2') -36.5 -6.5 &rst iat = 1041, 1043, 1044, 1060, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 33 DC NU1: (33 DC O4')-(33 DC C1')-(33 DC C2')-(33 DC C3') 19.8 49.8 &rst iat = 1043, 1044, 1060, 1058, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 33 DC NU2: (33 DC C1')-(33 DC C2')-(33 DC C3')-(33 DC C4') -49.8 -19.8 &rst iat = 1044, 1060, 1058, 1041, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 33 DC NU3: (33 DC C2')-(33 DC C3')-(33 DC C4')-(33 DC O4') 6.5 36.5 &rst iat = 1060, 1058, 1041, 1043, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 33 DC NU4: (33 DC C3')-(33 DC C4')-(33 DC O4')-(33 DC C1') -15.0 15.0 &rst iat = 1058, 1041, 1043, 1044, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 34 DT NU0: (34 DT C4')-(34 DT O4')-(34 DT C1')-(34 DT C2') -36.5 -6.5 &rst iat = 1071, 1073, 1074, 1092, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 34 DT NU1: (34 DT O4')-(34 DT C1')-(34 DT C2')-(34 DT C3') 19.8 49.8 &rst iat = 1073, 1074, 1092, 1090, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 34 DT NU2: (34 DT C1')-(34 DT C2')-(34 DT C3')-(34 DT C4') -49.8 -19.8 &rst iat = 1074, 1092, 1090, 1071, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 34 DT NU3: (34 DT C2')-(34 DT C3')-(34 DT C4')-(34 DT O4') 6.5 36.5 &rst iat = 1092, 1090, 1071, 1073, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 34 DT NU4: (34 DT C3')-(34 DT C4')-(34 DT O4')-(34 DT C1') -15.0 15.0 &rst iat = 1090, 1071, 1073, 1074, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 35 DA NU0: (35 DA C4')-(35 DA O4')-(35 DA C1')-(35 DA C2') -36.5 -6.5 &rst iat = 1103, 1105, 1106, 1124, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 35 DA NU1: (35 DA O4')-(35 DA C1')-(35 DA C2')-(35 DA C3') 19.8 49.8 &rst iat = 1105, 1106, 1124, 1122, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 35 DA NU2: (35 DA C1')-(35 DA C2')-(35 DA C3')-(35 DA C4') -49.8 -19.8 &rst iat = 1106, 1124, 1122, 1103, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 35 DA NU3: (35 DA C2')-(35 DA C3')-(35 DA C4')-(35 DA O4') 6.5 36.5 &rst iat = 1124, 1122, 1103, 1105, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 35 DA NU4: (35 DA C3')-(35 DA C4')-(35 DA O4')-(35 DA C1') -15.0 15.0 &rst iat = 1122, 1103, 1105, 1106, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 36 DG NU0: (36 DG3 C4')-(36 DG3 O4')-(36 DG3 C1')-(36 DG3 C2') -36.5 -6.5 &rst iat = 1135, 1137, 1138, 1157, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 36 DG NU1: (36 DG3 O4')-(36 DG3 C1')-(36 DG3 C2')-(36 DG3 C3') 19.8 49.8 &rst iat = 1137, 1138, 1157, 1155, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 36 DG NU2: (36 DG3 C1')-(36 DG3 C2')-(36 DG3 C3')-(36 DG3 C4') -49.8 -19.8 &rst iat = 1138, 1157, 1155, 1135, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 36 DG NU3: (36 DG3 C2')-(36 DG3 C3')-(36 DG3 C4')-(36 DG3 O4') 6.5 36.5 &rst iat = 1157, 1155, 1135, 1137, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 36 DG NU4: (36 DG3 C3')-(36 DG3 C4')-(36 DG3 O4')-(36 DG3 C1') -15.0 15.0 &rst iat = 1155, 1135, 1137, 1138, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, /
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