T3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | N26 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | N26 | sing | 1.47Å | 1.49Å | |
| N26 | C5' | sing | 1.47Å | 1.49Å | |
| C5' | C4' | sing | 1.53Å | 1.57Å | |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.47Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C1' | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C6 | sing | 1.37Å | 1.41Å | |
| N1 | C2 | sing | 1.35Å | 1.41Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | C5M | sing | 1.51Å | 1.54Å | |
| C5 | C4 | sing | 1.42Å | 1.40Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C2 | sing | 1.35Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5M | H5M | sing | 1.09Å | 1.10Å | |
| C5M | H5MA | sing | 1.09Å | 1.10Å | |
| C5M | H5MB | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | N26 | 110.2° | 109.5° |
| C21 | C22 | C23 | 112.4° | 109.3° |
| C22 | C21 | H21 | 109.2° | 109.5° |
| C22 | C21 | H21A | 109.1° | 109.5° |
| C21 | C22 | H22 | 108.5° | 109.5° |
| C21 | C22 | H22A | 107.8° | 109.4° |
| C21 | N26 | C25 | 111.9° | 111.2° |
| C21 | N26 | C5' | 110.7° | 111.0° |
| N26 | C21 | H21 | 109.2° | 109.5° |
| N26 | C21 | H21A | 109.1° | 109.4° |
| C22 | C23 | C24 | 113.2° | 109.2° |
| C23 | C22 | H22 | 108.5° | 109.5° |
| C23 | C22 | H22A | 107.8° | 109.5° |
| C22 | C23 | H23 | 108.2° | 109.6° |
| C22 | C23 | H23A | 107.4° | 109.5° |
| C23 | C24 | C25 | 112.9° | 109.3° |
| C24 | C23 | H23 | 108.2° | 109.5° |
| C24 | C23 | H23A | 107.4° | 109.5° |
| C23 | C24 | H24 | 108.4° | 109.6° |
| C23 | C24 | H24A | 107.6° | 109.5° |
| C24 | C25 | N26 | 112.3° | 109.5° |
| C25 | C24 | H24 | 108.3° | 109.5° |
| C25 | C24 | H24A | 107.6° | 109.4° |
| C24 | C25 | H25 | 108.6° | 109.4° |
| C24 | C25 | H25A | 107.9° | 109.4° |
| C25 | N26 | C5' | 115.3° | 111.0° |
| N26 | C25 | H25 | 108.6° | 109.5° |
| N26 | C25 | H25A | 107.9° | 109.5° |
| N26 | C5' | C4' | 116.6° | 109.5° |
| N26 | C5' | H5' | 107.2° | 109.5° |
| N26 | C5' | H5'A | 105.5° | 109.5° |
| C5' | C4' | O4' | 116.4° | 110.6° |
| C5' | C4' | C3' | 106.6° | 110.6° |
| C4' | C5' | H5' | 107.1° | 109.5° |
| C4' | C5' | H5'A | 105.5° | 109.4° |
| C5' | C4' | H4' | 105.3° | 110.6° |
| O4' | C4' | C3' | 104.4° | 103.5° |
| C4' | O4' | C1' | 109.4° | 107.0° |
| O4' | C4' | H4' | 107.5° | 110.6° |
| C4' | C3' | O3' | 108.9° | 110.9° |
| C4' | C3' | C2' | 103.1° | 102.1° |
| C3' | C4' | H4' | 117.1° | 110.8° |
| C4' | C3' | H3' | 113.7° | 110.9° |
| O4' | C1' | C2' | 105.4° | 107.3° |
| O4' | C1' | N1 | 107.6° | 109.9° |
| O4' | C1' | H1' | 114.8° | 109.9° |
| O3' | C3' | C2' | 109.2° | 110.9° |
| O3' | C3' | H3' | 108.2° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | C1' | 100.5° | 104.2° |
| C2' | C3' | H3' | 113.6° | 110.9° |
| C3' | C2' | H2' | 112.6° | 110.5° |
| C3' | C2' | H2'A | 114.4° | 110.5° |
| C2' | C1' | N1 | 113.8° | 109.9° |
| C1' | C2' | H2' | 112.6° | 110.4° |
| C1' | C2' | H2'A | 114.4° | 110.5° |
| C2' | C1' | H1' | 108.8° | 109.9° |
| C1' | N1 | C6 | 119.5° | 119.7° |
| C1' | N1 | C2 | 120.3° | 119.7° |
| N1 | C1' | H1' | 106.6° | 110.0° |
| C6 | N1 | C2 | 120.2° | 120.6° |
| N1 | C6 | C5 | 120.7° | 119.7° |
| N1 | C6 | H6 | 119.7° | 120.1° |
| N1 | C2 | N3 | 118.7° | 120.9° |
| N1 | C2 | O2 | 121.6° | 119.6° |
| C6 | C5 | C5M | 119.2° | 120.4° |
| C6 | C5 | C4 | 119.3° | 119.1° |
| C5 | C6 | H6 | 119.6° | 120.2° |
| C5M | C5 | C4 | 121.5° | 120.5° |
| C5 | C5M | H5M | 109.5° | 109.5° |
| C5 | C5M | H5MA | 109.4° | 109.5° |
| C5 | C5M | H5MB | 109.5° | 109.5° |
| C5 | C4 | O4 | 121.1° | 120.3° |
| C5 | C4 | N3 | 120.3° | 119.4° |
| O4 | C4 | N3 | 118.5° | 120.3° |
| C4 | N3 | C2 | 120.8° | 120.3° |
| C4 | N3 | HN3 | 119.6° | 119.8° |
| N3 | C2 | O2 | 119.7° | 119.5° |
| C2 | N3 | HN3 | 119.6° | 119.9° |
| H21 | C21 | H21A | 110.0° | 109.4° |
| H22 | C22 | H22A | 111.8° | 109.5° |
| H23 | C23 | H23A | 112.4° | 109.5° |
| H24 | C24 | H24A | 112.2° | 109.5° |
| H25 | C25 | H25A | 111.7° | 109.5° |
| H5' | C5' | H5'A | 115.2° | 109.5° |
| H2' | C2' | H2'A | 102.8° | 110.6° |
| H5M | C5M | H5MA | 109.5° | 109.4° |
| H5M | C5M | H5MB | 109.4° | 109.4° |
| H5MA | C5M | H5MB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | N26 | H21 | 120.0° | 120.1° |
| C22 | C21 | N26 | H21A | 119.7° | 120.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 118.7° | 119.9° |
| C21 | C22 | C23 | C24 | 27.6° | 57.6° |
| C22 | C21 | N26 | C25 | 68.7° | 61.7° |
| C22 | C21 | N26 | C5' | 161.1° | 174.2° |
| C22 | C21 | H21 | H21A | 119.7° | 120.0° |
| C21 | C22 | H22 | H22A | 118.8° | 120.0° |
| C21 | C22 | C23 | H23 | 147.6° | 62.2° |
| C21 | C22 | C23 | H23A | 90.8° | 177.6° |
| N26 | C21 | C22 | C23 | 30.0° | 59.1° |
| C21 | N26 | C25 | C24 | 43.0° | 61.7° |
| C21 | N26 | C25 | C5' | 127.8° | 124.1° |
| C21 | N26 | C5' | C4' | 96.9° | 170.0° |
| N26 | C21 | H21 | H21A | 119.7° | 119.9° |
| N26 | C21 | C22 | H22 | 150.0° | 179.1° |
| N26 | C21 | C22 | H22A | 88.7° | 60.8° |
| C21 | N26 | C25 | H25 | 77.0° | 58.3° |
| C21 | N26 | C25 | H25A | 161.8° | 178.3° |
| C21 | N26 | C5' | H5' | 143.1° | 50.0° |
| C21 | N26 | C5' | H5'A | 19.9° | 70.1° |
| C22 | C23 | C24 | H23 | 120.0° | 119.9° |
| C22 | C23 | C24 | H23A | 118.4° | 119.9° |
| C22 | C23 | C24 | C25 | 52.2° | 57.6° |
| C23 | C22 | C21 | H21 | 150.0° | 179.2° |
| C23 | C22 | C21 | H21A | 89.7° | 60.8° |
| C23 | C22 | H22 | H22A | 118.8° | 120.1° |
| C22 | C23 | H23 | H23A | 118.5° | 120.2° |
| C22 | C23 | C24 | H24 | 67.8° | 177.6° |
| C22 | C23 | C24 | H24A | 170.8° | 62.2° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 118.5° | 119.9° |
| C23 | C24 | C25 | N26 | 16.4° | 59.1° |
| C24 | C23 | C22 | H22 | 92.5° | 177.6° |
| C24 | C23 | C22 | H22A | 146.3° | 62.3° |
| C24 | C23 | H23 | H23A | 118.4° | 120.1° |
| C23 | C24 | H24 | H24A | 118.6° | 120.2° |
| C23 | C24 | C25 | H25 | 136.4° | 60.9° |
| C23 | C24 | C25 | H25A | 102.4° | 179.2° |
| C24 | C25 | N26 | H25 | 120.0° | 120.0° |
| C24 | C25 | N26 | H25A | 118.8° | 120.0° |
| C24 | C25 | N26 | C5' | 170.8° | 174.2° |
| C25 | C24 | C23 | H23 | 172.3° | 62.3° |
| C25 | C24 | C23 | H23A | 66.1° | 177.6° |
| C25 | C24 | H24 | H24A | 118.6° | 120.0° |
| C24 | C25 | H25 | H25A | 118.9° | 119.9° |
| C25 | N26 | C5' | C4' | 31.5° | 65.7° |
| C25 | N26 | C21 | H21 | 171.3° | 178.2° |
| C25 | N26 | C21 | H21A | 51.0° | 58.3° |
| N26 | C25 | C24 | H24 | 103.7° | 179.1° |
| N26 | C25 | C24 | H24A | 134.9° | 60.8° |
| N26 | C25 | H25 | H25A | 118.9° | 120.0° |
| C25 | N26 | C5' | H5' | 88.5° | 174.2° |
| C25 | N26 | C5' | H5'A | 148.2° | 54.2° |
| N26 | C5' | C4' | H5' | 120.0° | 120.0° |
| N26 | C5' | C4' | H5'A | 116.7° | 120.0° |
| N26 | C5' | C4' | O4' | 64.8° | 66.5° |
| N26 | C5' | C4' | C3' | 179.2° | 179.5° |
| C5' | N26 | C21 | H21 | 41.1° | 54.1° |
| C5' | N26 | C21 | H21A | 79.2° | 65.8° |
| C5' | N26 | C25 | H25 | 50.8° | 65.9° |
| C5' | N26 | C25 | H25A | 70.4° | 54.1° |
| N26 | C5' | H5' | H5'A | 117.1° | 120.0° |
| N26 | C5' | C4' | H4' | 54.1° | 56.4° |
| C5' | C4' | O4' | C3' | 117.2° | 118.5° |
| C5' | C4' | O4' | H4' | 117.8° | 122.8° |
| C5' | C4' | C3' | H4' | 117.5° | 123.0° |
| C5' | C4' | O4' | C1' | 106.5° | 158.6° |
| C5' | C4' | C3' | O3' | 152.9° | 86.3° |
| C5' | C4' | C3' | C2' | 91.2° | 155.5° |
| C4' | C5' | H5' | H5'A | 117.1° | 119.9° |
| C5' | C4' | C3' | H3' | 32.2° | 37.3° |
| O4' | C4' | C3' | H4' | 118.7° | 118.5° |
| O4' | C4' | C3' | O3' | 83.3° | 155.2° |
| O4' | C4' | C3' | C2' | 32.5° | 37.0° |
| C4' | O4' | C1' | C2' | 15.5° | 26.5° |
| C4' | O4' | C1' | N1 | 137.3° | 145.9° |
| O4' | C4' | C5' | H5' | 55.2° | 53.6° |
| O4' | C4' | C5' | H5'A | 178.5° | 173.6° |
| O4' | C4' | C3' | H3' | 155.9° | 81.2° |
| C4' | O4' | C1' | H1' | 104.2° | 92.9° |
| C3' | C4' | O4' | C1' | 10.7° | 40.1° |
| C4' | C3' | O3' | C2' | 111.9° | 112.7° |
| C4' | C3' | O3' | H3' | 124.1° | 123.6° |
| C4' | C3' | C2' | H3' | 123.5° | 118.2° |
| C4' | C3' | C2' | C1' | 40.9° | 20.9° |
| C3' | C4' | C5' | H5' | 60.8° | 60.5° |
| C3' | C4' | C5' | H5'A | 62.5° | 59.5° |
| C4' | C3' | O3' | HO3' | 136.7° | 180.0° |
| C4' | C3' | C2' | H2' | 79.1° | 139.5° |
| C4' | C3' | C2' | H2'A | 164.0° | 97.8° |
| O4' | C1' | C2' | C3' | 34.7° | 2.0° |
| O4' | C1' | C2' | N1 | 117.7° | 119.4° |
| O4' | C1' | C2' | H1' | 123.6° | 119.5° |
| O4' | C1' | N1 | H1' | 123.7° | 121.1° |
| O4' | C1' | N1 | C6 | 38.3° | 126.5° |
| O4' | C1' | N1 | C2 | 140.9° | 53.2° |
| C1' | O4' | C4' | H4' | 135.8° | 78.6° |
| O4' | C1' | C2' | H2' | 85.3° | 116.7° |
| O4' | C1' | C2' | H2'A | 157.8° | 120.7° |
| O3' | C3' | C2' | H3' | 120.8° | 123.6° |
| O3' | C3' | C2' | C1' | 74.7° | 139.1° |
| O3' | C3' | C4' | H4' | 35.4° | 36.7° |
| O3' | C3' | C2' | H2' | 165.2° | 102.3° |
| O3' | C3' | C2' | H2'A | 48.4° | 20.4° |
| C3' | C2' | C1' | H2' | 120.0° | 118.7° |
| C3' | C2' | C1' | H2'A | 123.1° | 118.7° |
| C3' | C2' | C1' | N1 | 152.5° | 121.4° |
| C2' | C3' | C4' | H4' | 151.2° | 81.5° |
| C2' | C3' | O3' | HO3' | 111.4° | 67.3° |
| C3' | C2' | H2' | H2'A | 123.6° | 122.7° |
| C3' | C2' | C1' | H1' | 88.9° | 117.4° |
| C2' | C1' | N1 | H1' | 119.9° | 121.1° |
| C2' | C1' | N1 | C6 | 78.1° | 115.7° |
| C2' | C1' | N1 | C2 | 102.7° | 64.6° |
| C1' | C2' | C3' | H3' | 164.5° | 97.3° |
| C1' | C2' | H2' | H2'A | 123.6° | 122.6° |
| C1' | N1 | C6 | C2 | 179.1° | 179.7° |
| C1' | N1 | C6 | C5 | 179.4° | 179.9° |
| C1' | N1 | C2 | N3 | 179.4° | 179.8° |
| C1' | N1 | C2 | O2 | 1.5° | 0.0° |
| N1 | C1' | C2' | H2' | 32.4° | 2.8° |
| N1 | C1' | C2' | H2'A | 84.5° | 119.9° |
| C1' | N1 | C6 | H6 | 0.6° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5M | 179.9° | 179.9° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.4° |
| C6 | N1 | C2 | O2 | 179.4° | 179.8° |
| C6 | N1 | C1' | H1' | 162.0° | 5.4° |
| C2 | N1 | C6 | C5 | 0.3° | 0.2° |
| N1 | C2 | N3 | C4 | 0.0° | 0.5° |
| N1 | C2 | N3 | O2 | 179.1° | 179.8° |
| C2 | N1 | C1' | H1' | 17.2° | 174.4° |
| C2 | N1 | C6 | H6 | 179.7° | 179.8° |
| N1 | C2 | N3 | HN3 | 180.0° | 179.7° |
| C6 | C5 | C5M | C4 | 179.8° | 179.9° |
| C6 | C5 | C4 | O4 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.0° |
| C6 | C5 | C5M | H5M | 123.5° | 90.0° |
| C6 | C5 | C5M | H5MA | 3.5° | 150.0° |
| C6 | C5 | C5M | H5MB | 116.6° | 30.0° |
| C5M | C5 | C4 | O4 | 0.4° | 0.1° |
| C5M | C5 | C4 | N3 | 179.7° | 180.0° |
| C5M | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | C5M | H5M | H5MA | 120.0° | 120.0° |
| C5 | C5M | H5M | H5MB | 120.0° | 120.0° |
| C5 | C5M | H5MA | H5MB | 120.0° | 120.0° |
| C5 | C4 | O4 | N3 | 179.8° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.3° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | C5M | H5M | 56.3° | 89.9° |
| C4 | C5 | C5M | H5MA | 176.3° | 30.1° |
| C4 | C5 | C5M | H5MB | 63.7° | 150.1° |
| C5 | C4 | N3 | HN3 | 179.9° | 179.9° |
| O4 | C4 | N3 | C2 | 179.7° | 179.8° |
| O4 | C4 | N3 | HN3 | 0.3° | 0.0° |
| C4 | N3 | C2 | HN3 | 180.0° | 179.8° |
| C4 | N3 | C2 | O2 | 179.2° | 179.8° |
| O2 | C2 | N3 | HN3 | 0.8° | 0.0° |
| H21 | C21 | C22 | H22 | 90.0° | 60.8° |
| H21 | C21 | C22 | H22A | 31.3° | 59.3° |
| H21A | C21 | C22 | H22 | 30.3° | 59.2° |
| H21A | C21 | C22 | H22A | 151.6° | 179.2° |
| H22 | C22 | C23 | H23 | 27.6° | 57.7° |
| H22 | C22 | C23 | H23A | 149.2° | 62.5° |
| H22A | C22 | C23 | H23 | 93.7° | 177.9° |
| H22A | C22 | C23 | H23A | 27.9° | 57.7° |
| H23 | C23 | C24 | H24 | 52.2° | 57.7° |
| H23 | C23 | C24 | H24A | 69.2° | 177.8° |
| H23A | C23 | C24 | H24 | 173.9° | 62.5° |
| H23A | C23 | C24 | H24A | 52.4° | 57.7° |
| H24 | C24 | C25 | H25 | 16.4° | 59.1° |
| H24 | C24 | C25 | H25A | 137.5° | 60.8° |
| H24A | C24 | C25 | H25 | 105.1° | 179.2° |
| H24A | C24 | C25 | H25A | 16.1° | 59.3° |
| H5' | C5' | C4' | H4' | 174.1° | 176.4° |
| H5'A | C5' | C4' | H4' | 62.6° | 63.6° |
| H4' | C4' | C3' | H3' | 85.4° | 160.3° |
| H3' | C3' | O3' | HO3' | 12.6° | 56.4° |
| H3' | C3' | C2' | H2' | 44.4° | 21.3° |
| H3' | C3' | C2' | H2'A | 72.4° | 144.0° |
| H2' | C2' | C1' | H1' | 151.1° | 123.9° |
| H2'A | C2' | C1' | H1' | 34.2° | 1.3° |
| H5M | C5M | H5MA | H5MB | 120.0° | 119.9° |
