0FT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C1' | N7 | sing | 1.47Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5A | C5 | sing | 1.51Å | 1.48Å | |
| O4' | C4' | sing | 1.43Å | 1.47Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C9 | N7 | sing | 1.35Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.41Å | Aromatic |
| N7 | N6 | sing | 1.29Å | 1.28Å | Aromatic |
| C5 | C6 | doub | 1.35Å | 1.37Å | |
| C5 | C4 | sing | 1.42Å | 1.38Å | |
| C6 | N1 | sing | 1.37Å | 1.38Å | |
| O4 | C4 | doub | 1.22Å | 1.37Å | |
| C4 | N3 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | sing | 1.51Å | 1.55Å | |
| C8 | N5 | sing | 1.34Å | 1.39Å | Aromatic |
| N6 | N5 | doub | 1.29Å | 1.32Å | Aromatic |
| N1 | C7 | sing | 1.47Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| N3 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.20Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C5A | H6 | sing | 1.09Å | 1.10Å | |
| C5A | H7 | sing | 1.09Å | 1.10Å | |
| C5A | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| O5' | H13 | sing | 0.97Å | 0.95Å | |
| C3' | H14 | sing | 1.09Å | 1.10Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| C2' | H16 | sing | 1.09Å | 1.10Å | |
| O2' | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C1' | 108.4° | 111.1° |
| O2' | C2' | C3' | 111.0° | 111.1° |
| O2' | C2' | H16 | 113.1° | 111.0° |
| C2' | O2' | H17 | 109.5° | 114.0° |
| C1' | C2' | C3' | 100.4° | 101.0° |
| C2' | C1' | O4' | 106.4° | 105.2° |
| C2' | C1' | N7 | 104.4° | 110.3° |
| C2' | C1' | H9 | 109.8° | 110.4° |
| C1' | C2' | H16 | 111.7° | 111.2° |
| C2' | C3' | C4' | 103.1° | 102.2° |
| C2' | C3' | O3' | 113.7° | 110.9° |
| C2' | C3' | H14 | 108.4° | 111.0° |
| C3' | C2' | H16 | 111.5° | 111.1° |
| O5' | C5' | C4' | 111.1° | 109.5° |
| O5' | C5' | H11 | 109.1° | 109.4° |
| O5' | C5' | H12 | 109.1° | 109.5° |
| C5' | O5' | H13 | 109.5° | 114.0° |
| O4' | C1' | N7 | 113.4° | 110.3° |
| C1' | O4' | C4' | 109.5° | 109.9° |
| O4' | C1' | H9 | 111.4° | 110.3° |
| C1' | N7 | C9 | 122.5° | 125.9° |
| C1' | N7 | N6 | 127.2° | 125.8° |
| N7 | C1' | H9 | 111.2° | 110.3° |
| C5' | C4' | O4' | 110.1° | 109.8° |
| C5' | C4' | C3' | 115.6° | 109.9° |
| C5' | C4' | H10 | 108.6° | 109.8° |
| C4' | C5' | H11 | 109.1° | 109.5° |
| C4' | C5' | H12 | 109.1° | 109.5° |
| C5A | C5 | C6 | 121.7° | 120.4° |
| C5A | C5 | C4 | 120.1° | 120.5° |
| C5 | C5A | H6 | 109.5° | 109.5° |
| C5 | C5A | H7 | 109.5° | 109.5° |
| C5 | C5A | H8 | 109.4° | 109.5° |
| O4' | C4' | C3' | 105.0° | 107.6° |
| O4' | C4' | H10 | 109.1° | 109.8° |
| C4' | C3' | O3' | 113.2° | 110.9° |
| C3' | C4' | H10 | 108.3° | 109.8° |
| C4' | C3' | H14 | 108.3° | 110.8° |
| O3' | C3' | H14 | 109.8° | 110.8° |
| C3' | O3' | H15 | 109.5° | 114.0° |
| N7 | C9 | C8 | 105.3° | 106.2° |
| C9 | N7 | N6 | 110.1° | 108.3° |
| N7 | C9 | H4 | 127.4° | 127.0° |
| C9 | C8 | C7 | 127.4° | 126.8° |
| C9 | C8 | N5 | 104.4° | 106.5° |
| C8 | C9 | H4 | 127.3° | 126.9° |
| N7 | N6 | N5 | 109.6° | 110.1° |
| C6 | C5 | C4 | 118.2° | 119.1° |
| C5 | C6 | N1 | 120.1° | 119.7° |
| C5 | C6 | H1 | 119.9° | 120.2° |
| C5 | C4 | O4 | 119.6° | 120.3° |
| C5 | C4 | N3 | 120.0° | 119.4° |
| C6 | N1 | C7 | 116.5° | 119.7° |
| C6 | N1 | C2 | 120.1° | 120.6° |
| N1 | C6 | H1 | 120.0° | 120.1° |
| O4 | C4 | N3 | 120.4° | 120.3° |
| C4 | N3 | C2 | 121.0° | 120.2° |
| C4 | N3 | H5 | 119.5° | 119.9° |
| C7 | C8 | N5 | 128.1° | 126.7° |
| C8 | C7 | N1 | 128.5° | 109.4° |
| C8 | C7 | H2 | 104.5° | 109.5° |
| C8 | C7 | H3 | 104.5° | 109.5° |
| C8 | N5 | N6 | 110.5° | 108.9° |
| C7 | N1 | C2 | 123.2° | 119.7° |
| N1 | C7 | H2 | 104.5° | 109.5° |
| N1 | C7 | H3 | 104.5° | 109.5° |
| N1 | C2 | N3 | 120.5° | 121.0° |
| N1 | C2 | O2 | 120.8° | 119.6° |
| N3 | C2 | O2 | 118.6° | 119.5° |
| C2 | N3 | H5 | 119.5° | 119.9° |
| H2 | C7 | H3 | 109.4° | 109.4° |
| H6 | C5A | H7 | 109.4° | 109.5° |
| H6 | C5A | H8 | 109.5° | 109.5° |
| H7 | C5A | H8 | 109.5° | 109.5° |
| H11 | C5' | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C1' | C3' | 116.4° | 117.9° |
| O2' | C2' | C1' | H16 | 125.3° | 124.2° |
| O2' | C2' | C3' | H16 | 127.1° | 124.1° |
| O2' | C2' | C1' | O4' | 78.6° | 154.4° |
| O2' | C2' | C1' | N7 | 161.2° | 86.7° |
| O2' | C2' | C3' | C4' | 77.4° | 152.1° |
| O2' | C2' | C3' | O3' | 159.6° | 89.7° |
| O2' | C2' | C1' | H9 | 42.0° | 35.4° |
| O2' | C2' | C3' | H14 | 37.2° | 33.9° |
| C1' | C2' | C3' | H16 | 118.4° | 117.9° |
| C2' | C1' | O4' | N7 | 114.1° | 118.9° |
| C2' | C1' | O4' | H9 | 119.6° | 119.0° |
| C2' | C1' | N7 | H9 | 118.3° | 122.2° |
| C2' | C1' | O4' | C4' | 23.5° | 24.4° |
| C1' | C2' | C3' | C4' | 37.0° | 34.1° |
| C1' | C2' | C3' | O3' | 85.9° | 152.4° |
| C2' | C1' | N7 | C9 | 46.6° | 127.8° |
| C2' | C1' | N7 | N6 | 128.0° | 52.0° |
| C1' | C2' | C3' | H14 | 151.7° | 84.1° |
| C1' | C2' | O2' | H17 | 180.0° | 179.9° |
| C3' | C2' | C1' | O4' | 37.8° | 36.5° |
| C3' | C2' | C1' | N7 | 82.3° | 155.3° |
| C2' | C3' | C4' | C5' | 97.0° | 140.9° |
| C2' | C3' | C4' | O4' | 24.5° | 21.3° |
| C2' | C3' | C4' | O3' | 123.3° | 118.2° |
| C2' | C3' | C4' | H14 | 114.7° | 118.3° |
| C2' | C3' | O3' | H14 | 121.6° | 123.7° |
| C3' | C2' | C1' | H9 | 158.4° | 82.5° |
| C2' | C3' | C4' | H10 | 141.0° | 98.2° |
| C2' | C3' | O3' | H15 | 180.0° | 67.1° |
| C3' | C2' | O2' | H17 | 70.6° | 68.4° |
| O5' | C5' | C4' | H11 | 120.3° | 120.0° |
| O5' | C5' | C4' | H12 | 120.2° | 120.0° |
| O5' | C5' | C4' | O4' | 132.7° | 66.4° |
| O5' | C5' | C4' | C3' | 14.0° | 175.4° |
| O5' | C5' | C4' | H10 | 107.9° | 54.4° |
| O5' | C5' | H11 | H12 | 119.3° | 120.0° |
| O4' | C1' | N7 | H9 | 126.4° | 122.1° |
| C1' | O4' | C4' | C5' | 124.1° | 117.9° |
| C1' | O4' | C4' | C3' | 1.0° | 1.7° |
| O4' | C1' | N7 | C9 | 161.9° | 116.5° |
| O4' | C1' | N7 | N6 | 12.7° | 63.7° |
| C1' | O4' | C4' | H10 | 116.8° | 121.3° |
| O4' | C1' | C2' | H16 | 156.1° | 81.4° |
| N7 | C1' | O4' | C4' | 90.6° | 143.3° |
| C1' | N7 | C9 | N6 | 175.4° | 179.8° |
| C1' | N7 | C9 | C8 | 178.4° | 180.0° |
| C1' | N7 | N6 | N5 | 177.5° | 179.9° |
| C1' | N7 | C9 | H4 | 1.6° | 0.1° |
| N7 | C1' | C2' | H16 | 36.0° | 37.5° |
| C5' | C4' | O4' | C3' | 125.0° | 119.6° |
| C5' | C4' | O4' | H10 | 119.1° | 120.9° |
| C5' | C4' | C3' | H10 | 122.1° | 120.9° |
| C5' | C4' | C3' | O3' | 139.8° | 100.9° |
| C4' | C5' | H11 | H12 | 119.2° | 120.0° |
| C4' | C5' | O5' | H13 | 180.0° | 180.0° |
| C5' | C4' | C3' | H14 | 17.8° | 22.6° |
| C5A | C5 | C6 | C4 | 179.8° | 180.0° |
| C5A | C5 | C6 | N1 | 178.6° | 180.0° |
| C5A | C5 | C4 | O4 | 0.1° | 0.3° |
| C5A | C5 | C4 | N3 | 179.9° | 180.0° |
| C5A | C5 | C6 | H1 | 1.4° | 0.0° |
| C5 | C5A | H6 | H7 | 120.0° | 120.0° |
| C5 | C5A | H6 | H8 | 120.0° | 120.0° |
| C5 | C5A | H7 | H8 | 120.0° | 120.0° |
| O4' | C4' | C3' | H10 | 116.5° | 119.5° |
| O4' | C4' | C3' | O3' | 98.7° | 139.6° |
| C4' | O4' | C1' | H9 | 143.1° | 94.6° |
| O4' | C4' | C5' | H11 | 12.5° | 53.5° |
| O4' | C4' | C5' | H12 | 107.0° | 173.5° |
| O4' | C4' | C3' | H14 | 139.3° | 97.0° |
| C4' | C3' | O3' | H14 | 121.2° | 123.5° |
| C3' | C4' | C5' | H11 | 106.2° | 64.7° |
| C3' | C4' | C5' | H12 | 134.3° | 55.4° |
| C4' | C3' | O3' | H15 | 62.8° | 179.9° |
| C4' | C3' | C2' | H16 | 155.4° | 83.8° |
| O3' | C3' | C4' | H10 | 17.7° | 20.0° |
| O3' | C3' | C2' | H16 | 32.5° | 34.4° |
| N7 | C9 | C8 | H4 | 180.0° | 179.9° |
| N7 | C9 | C8 | C7 | 178.5° | 179.9° |
| N7 | C9 | C8 | N5 | 2.4° | 0.2° |
| C9 | N7 | N6 | N5 | 2.4° | 0.0° |
| C9 | N7 | C1' | H9 | 71.7° | 5.6° |
| C8 | C9 | N7 | N6 | 3.0° | 0.2° |
| C9 | C8 | C7 | N5 | 175.2° | 179.6° |
| C9 | C8 | N5 | N6 | 1.2° | 0.2° |
| C9 | C8 | C7 | N1 | 89.4° | 95.3° |
| C9 | C8 | C7 | H2 | 148.0° | 144.7° |
| C9 | C8 | C7 | H3 | 33.1° | 24.6° |
| N7 | N6 | N5 | C8 | 0.7° | 0.1° |
| N6 | N7 | C9 | H4 | 177.0° | 179.9° |
| N6 | N7 | C1' | H9 | 113.8° | 174.2° |
| C5 | C6 | N1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 179.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.3° | 0.0° |
| C5 | C6 | N1 | C7 | 177.6° | 180.0° |
| C5 | C6 | N1 | C2 | 3.1° | 0.0° |
| C6 | C5 | C5A | H6 | 180.0° | 90.0° |
| C6 | C5 | C5A | H7 | 60.0° | 150.0° |
| C6 | C5 | C5A | H8 | 60.0° | 30.0° |
| C4 | C5 | C6 | N1 | 1.6° | 0.0° |
| C5 | C4 | O4 | N3 | 179.8° | 179.7° |
| C5 | C4 | N3 | C2 | 0.4° | 0.0° |
| C4 | C5 | C6 | H1 | 178.4° | 180.0° |
| C5 | C4 | N3 | H5 | 179.6° | 180.0° |
| C4 | C5 | C5A | H6 | 0.2° | 90.0° |
| C4 | C5 | C5A | H7 | 119.8° | 30.0° |
| C4 | C5 | C5A | H8 | 120.2° | 150.0° |
| C6 | N1 | C7 | C8 | 118.4° | 90.0° |
| C6 | N1 | C7 | C2 | 174.3° | 180.0° |
| C6 | N1 | C2 | N3 | 3.2° | 0.0° |
| C6 | N1 | C2 | O2 | 179.2° | 180.0° |
| C6 | N1 | C7 | H2 | 119.1° | 30.0° |
| C6 | N1 | C7 | H3 | 4.1° | 150.0° |
| O4 | C4 | N3 | C2 | 179.8° | 179.8° |
| O4 | C4 | N3 | H5 | 0.1° | 0.3° |
| C4 | N3 | C2 | N1 | 1.9° | 0.0° |
| C4 | N3 | C2 | H5 | 180.0° | 180.0° |
| C4 | N3 | C2 | O2 | 179.6° | 180.0° |
| C7 | C8 | N5 | N6 | 177.2° | 179.9° |
| C8 | C7 | N1 | H2 | 122.5° | 120.1° |
| C8 | C7 | N1 | H3 | 122.5° | 120.0° |
| C8 | C7 | N1 | C2 | 67.3° | 90.0° |
| C8 | C7 | H2 | H3 | 111.5° | 120.0° |
| C7 | C8 | C9 | H4 | 1.5° | 0.1° |
| N5 | C8 | C7 | N1 | 95.4° | 85.0° |
| N5 | C8 | C7 | H2 | 27.1° | 35.0° |
| N5 | C8 | C7 | H3 | 142.1° | 155.0° |
| N5 | C8 | C9 | H4 | 177.6° | 179.8° |
| C7 | N1 | C2 | N3 | 177.3° | 180.0° |
| C7 | N1 | C2 | O2 | 5.0° | 0.0° |
| C7 | N1 | C6 | H1 | 2.4° | 0.0° |
| N1 | C7 | H2 | H3 | 111.5° | 120.0° |
| N1 | C2 | N3 | O2 | 177.7° | 180.0° |
| C2 | N1 | C6 | H1 | 176.9° | 180.0° |
| C2 | N1 | C7 | H2 | 55.2° | 150.0° |
| C2 | N1 | C7 | H3 | 170.2° | 30.0° |
| N1 | C2 | N3 | H5 | 178.1° | 180.0° |
| O2 | C2 | N3 | H5 | 0.5° | 0.0° |
| H6 | C5A | H7 | H8 | 120.0° | 120.0° |
| H9 | C1' | C2' | H16 | 83.3° | 159.6° |
| H10 | C4' | C5' | H11 | 131.9° | 174.4° |
| H10 | C4' | C5' | H12 | 12.4° | 65.6° |
| H10 | C4' | C3' | H14 | 104.3° | 143.5° |
| H11 | C5' | O5' | H13 | 59.7° | 60.0° |
| H12 | C5' | O5' | H13 | 59.8° | 60.0° |
| H14 | C3' | O3' | H15 | 58.4° | 56.6° |
| H14 | C3' | C2' | H16 | 89.9° | 158.0° |
| H16 | C2' | O2' | H17 | 55.6° | 55.8° |
