XJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | doub | 1.32Å | 1.37Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N02 | HN0A | sing | 0.97Å | 1.00Å | |
| C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C07 | C3' | sing | 1.53Å | 1.53Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C2' | N1' | sing | 1.48Å | 1.44Å | |
| N1' | C5' | sing | 1.49Å | 1.45Å | |
| N1' | HN1' | sing | 1.01Å | 1.00Å | |
| O10 | C4' | sing | 1.43Å | 1.45Å | |
| O10 | C11 | sing | 1.36Å | 1.40Å | |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | O20 | sing | 1.36Å | 1.39Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| O20 | C21 | sing | 1.36Å | 1.39Å | |
| C26 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C06 | 121.5° | 121.6° |
| N01 | C02 | C03 | 120.5° | 120.6° |
| N01 | C02 | N02 | 121.7° | 119.8° |
| N01 | C06 | C05 | 118.6° | 120.9° |
| N01 | C06 | C07 | 122.7° | 119.6° |
| C03 | C02 | N02 | 117.9° | 119.6° |
| C02 | C03 | C04 | 118.7° | 119.1° |
| C02 | C03 | H03 | 120.7° | 120.5° |
| C02 | N02 | HN02 | 109.5° | 119.9° |
| C02 | N02 | HN0A | 109.4° | 120.0° |
| HN02 | N02 | HN0A | 109.4° | 120.0° |
| C04 | C03 | H03 | 120.6° | 120.4° |
| C03 | C04 | C05 | 119.8° | 118.5° |
| C03 | C04 | H04 | 120.1° | 120.8° |
| C05 | C04 | H04 | 120.1° | 120.7° |
| C04 | C05 | C06 | 120.9° | 119.3° |
| C04 | C05 | H05 | 119.5° | 120.3° |
| C06 | C05 | H05 | 119.5° | 120.3° |
| C05 | C06 | C07 | 118.7° | 119.6° |
| C06 | C07 | C3' | 109.0° | 109.5° |
| C06 | C07 | H07 | 109.7° | 109.4° |
| C06 | C07 | H07A | 109.6° | 109.4° |
| C3' | C07 | H07 | 109.7° | 109.5° |
| C3' | C07 | H07A | 109.6° | 109.5° |
| C07 | C3' | C2' | 112.9° | 110.3° |
| C07 | C3' | C4' | 120.6° | 110.3° |
| C07 | C3' | H3' | 97.4° | 110.3° |
| H07 | C07 | H07A | 109.3° | 109.5° |
| C2' | N1' | C5' | 113.1° | 104.2° |
| C2' | N1' | HN1' | 108.3° | 111.0° |
| N1' | C2' | C3' | 103.2° | 104.6° |
| N1' | C2' | H2' | 111.6° | 110.4° |
| N1' | C2' | H2'A | 111.6° | 110.5° |
| C5' | N1' | HN1' | 108.3° | 110.9° |
| N1' | C5' | C4' | 106.5° | 104.6° |
| N1' | C5' | H5' | 110.5° | 110.4° |
| N1' | C5' | H5'A | 110.5° | 110.4° |
| C4' | O10 | C11 | 120.7° | 117.0° |
| O10 | C4' | C3' | 119.2° | 110.3° |
| O10 | C4' | C5' | 110.8° | 110.3° |
| O10 | C4' | H4' | 99.9° | 110.3° |
| O10 | C11 | C12 | 119.9° | 120.0° |
| O10 | C11 | C16 | 122.1° | 120.0° |
| C12 | C11 | C16 | 118.0° | 120.0° |
| C11 | C12 | C13 | 122.3° | 120.0° |
| C11 | C12 | H12 | 118.9° | 120.0° |
| C11 | C16 | C15 | 120.7° | 119.9° |
| C11 | C16 | H16 | 119.7° | 120.1° |
| C13 | C12 | H12 | 118.9° | 120.0° |
| C12 | C13 | C14 | 118.9° | 120.1° |
| C12 | C13 | H13 | 120.5° | 119.9° |
| C14 | C13 | H13 | 120.6° | 119.9° |
| C13 | C14 | C15 | 121.2° | 120.0° |
| C13 | C14 | H14 | 119.4° | 120.0° |
| C15 | C14 | H14 | 119.4° | 120.0° |
| C14 | C15 | C16 | 119.0° | 119.9° |
| C14 | C15 | O20 | 119.1° | 120.0° |
| C16 | C15 | O20 | 121.9° | 120.0° |
| C15 | C16 | H16 | 119.6° | 120.0° |
| C15 | O20 | C21 | 121.0° | 118.0° |
| C3' | C2' | H2' | 111.6° | 110.4° |
| C3' | C2' | H2'A | 111.6° | 110.4° |
| C2' | C3' | C4' | 106.5° | 105.1° |
| C2' | C3' | H3' | 114.2° | 110.3° |
| H2' | C2' | H2'A | 107.2° | 110.4° |
| O20 | C21 | C26 | 120.5° | 120.1° |
| O20 | C21 | C22 | 120.9° | 120.1° |
| C26 | C21 | C22 | 118.6° | 119.9° |
| C21 | C26 | C25 | 120.8° | 119.9° |
| C21 | C26 | H26 | 119.6° | 120.0° |
| C21 | C22 | C23 | 120.8° | 119.9° |
| C21 | C22 | H22 | 119.6° | 120.0° |
| C23 | C22 | H22 | 119.6° | 120.1° |
| C22 | C23 | C24 | 120.1° | 120.1° |
| C22 | C23 | H23 | 120.0° | 119.9° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.2° |
| C23 | C24 | H24 | 120.1° | 119.9° |
| C25 | C24 | H24 | 120.1° | 119.9° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C24 | C25 | H25 | 120.0° | 120.0° |
| C26 | C25 | H25 | 120.0° | 119.9° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| C4' | C3' | H3' | 105.0° | 110.4° |
| C3' | C4' | C5' | 103.9° | 105.1° |
| C3' | C4' | H4' | 107.4° | 110.3° |
| C5' | C4' | H4' | 116.3° | 110.4° |
| C4' | C5' | H5' | 110.5° | 110.4° |
| C4' | C5' | H5'A | 110.5° | 110.4° |
| H5' | C5' | H5'A | 108.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | N02 | 179.8° | 180.0° |
| N01 | C02 | N02 | HN02 | 0.0° | 0.0° |
| N01 | C02 | N02 | HN0A | 120.0° | 180.0° |
| N01 | C02 | C03 | C04 | 0.4° | 0.0° |
| N01 | C02 | C03 | H03 | 179.6° | 180.0° |
| C02 | N01 | C06 | C05 | 0.8° | 0.0° |
| C02 | N01 | C06 | C07 | 178.8° | 180.0° |
| C06 | N01 | C02 | C03 | 0.2° | 0.0° |
| C06 | N01 | C02 | N02 | 180.0° | 180.0° |
| N01 | C06 | C05 | C04 | 0.8° | 0.0° |
| N01 | C06 | C05 | C07 | 178.1° | 180.0° |
| N01 | C06 | C05 | H05 | 179.2° | 180.0° |
| N01 | C06 | C07 | C3' | 48.8° | 55.0° |
| N01 | C06 | C07 | H07 | 71.2° | 65.0° |
| N01 | C06 | C07 | H07A | 168.8° | 175.0° |
| C03 | C02 | N02 | HN02 | 179.8° | 179.9° |
| C03 | C02 | N02 | HN0A | 59.8° | 0.1° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.5° | 0.1° |
| C02 | C03 | C04 | H04 | 179.5° | 180.0° |
| C02 | N02 | HN02 | HN0A | 120.0° | 180.0° |
| N02 | C02 | C03 | C04 | 179.3° | 180.0° |
| N02 | C02 | C03 | H03 | 0.6° | 0.1° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C03 | C04 | C05 | H05 | 179.9° | 179.9° |
| H03 | C03 | C04 | C05 | 179.5° | 180.0° |
| H03 | C03 | C04 | H04 | 0.5° | 0.0° |
| C04 | C05 | C06 | H05 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 178.9° | 180.0° |
| H04 | C04 | C05 | C06 | 179.9° | 180.0° |
| H04 | C04 | C05 | H05 | 0.1° | 0.0° |
| C05 | C06 | C07 | C3' | 129.2° | 125.0° |
| C05 | C06 | C07 | H07 | 110.8° | 115.0° |
| C05 | C06 | C07 | H07A | 9.2° | 5.0° |
| H05 | C05 | C06 | C07 | 1.1° | 0.0° |
| C06 | C07 | C3' | H07 | 120.0° | 120.0° |
| C06 | C07 | C3' | H07A | 120.0° | 120.0° |
| C06 | C07 | H07 | H07A | 120.2° | 120.0° |
| C06 | C07 | C3' | C2' | 53.1° | 66.5° |
| C06 | C07 | C3' | C4' | 179.4° | 177.9° |
| C06 | C07 | C3' | H3' | 67.1° | 55.7° |
| C3' | C07 | H07 | H07A | 120.2° | 120.1° |
| C07 | C3' | C2' | N1' | 160.7° | 142.8° |
| C07 | C3' | C4' | O10 | 30.1° | 0.0° |
| C07 | C3' | C2' | C4' | 134.5° | 118.9° |
| C07 | C3' | C2' | H3' | 110.0° | 122.1° |
| C07 | C3' | C2' | H2' | 79.3° | 98.5° |
| C07 | C3' | C2' | H2'A | 40.7° | 23.9° |
| C07 | C3' | C4' | H3' | 108.3° | 122.1° |
| C07 | C3' | C4' | C5' | 153.9° | 118.9° |
| C07 | C3' | C4' | H4' | 82.3° | 122.1° |
| H07 | C07 | C3' | C2' | 173.2° | 173.6° |
| H07 | C07 | C3' | C4' | 59.4° | 57.9° |
| H07 | C07 | C3' | H3' | 53.0° | 64.3° |
| H07A | C07 | C3' | C2' | 66.8° | 53.5° |
| H07A | C07 | C3' | C4' | 60.6° | 62.1° |
| H07A | C07 | C3' | H3' | 172.9° | 175.6° |
| C2' | N1' | C5' | HN1' | 120.0° | 119.5° |
| N1' | C2' | C3' | H2' | 120.0° | 118.8° |
| N1' | C2' | C3' | H2'A | 120.0° | 118.8° |
| N1' | C2' | H2' | H2'A | 122.5° | 122.5° |
| N1' | C2' | C3' | C4' | 26.2° | 23.9° |
| N1' | C2' | C3' | H3' | 89.3° | 95.1° |
| C2' | N1' | C5' | C4' | 4.8° | 39.5° |
| C2' | N1' | C5' | H5' | 115.2° | 79.2° |
| C2' | N1' | C5' | H5'A | 124.7° | 158.3° |
| N1' | C5' | C4' | O10 | 117.2° | 142.7° |
| C5' | N1' | C2' | C3' | 19.4° | 39.5° |
| C5' | N1' | C2' | H2' | 139.4° | 158.2° |
| C5' | N1' | C2' | H2'A | 100.6° | 79.3° |
| N1' | C5' | C4' | C3' | 11.9° | 23.8° |
| N1' | C5' | C4' | H5' | 120.0° | 118.7° |
| N1' | C5' | C4' | H5'A | 120.0° | 118.8° |
| N1' | C5' | C4' | H4' | 129.6° | 95.1° |
| N1' | C5' | H5' | H5'A | 121.3° | 122.4° |
| HN1' | N1' | C2' | C3' | 139.4° | 159.0° |
| HN1' | N1' | C2' | H2' | 100.6° | 82.3° |
| HN1' | N1' | C2' | H2'A | 19.4° | 40.2° |
| HN1' | N1' | C5' | C4' | 124.8° | 159.0° |
| HN1' | N1' | C5' | H5' | 4.8° | 40.3° |
| HN1' | N1' | C5' | H5'A | 115.3° | 82.2° |
| C4' | O10 | C11 | C12 | 47.7° | 2.9° |
| C4' | O10 | C11 | C16 | 132.2° | 177.4° |
| O10 | C4' | C3' | C2' | 100.2° | 118.9° |
| O10 | C4' | C3' | C5' | 123.8° | 118.9° |
| O10 | C4' | C3' | H4' | 112.4° | 122.1° |
| O10 | C4' | C3' | H3' | 138.3° | 122.2° |
| O10 | C4' | C5' | H4' | 113.2° | 122.2° |
| O10 | C4' | C5' | H5' | 2.8° | 24.0° |
| O10 | C4' | C5' | H5'A | 122.8° | 98.5° |
| O10 | C11 | C12 | C16 | 179.9° | 179.7° |
| O10 | C11 | C12 | C13 | 179.8° | 180.0° |
| O10 | C11 | C12 | H12 | 0.2° | 0.0° |
| O10 | C11 | C16 | C15 | 179.9° | 179.7° |
| O10 | C11 | C16 | H16 | 0.1° | 0.0° |
| C11 | O10 | C4' | C3' | 175.3° | 158.2° |
| C11 | O10 | C4' | C5' | 64.4° | 86.2° |
| C11 | O10 | C4' | H4' | 58.8° | 36.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.5° |
| C12 | C11 | C16 | H16 | 180.0° | 179.8° |
| C16 | C11 | C12 | C13 | 0.2° | 0.3° |
| C16 | C11 | C12 | H12 | 179.8° | 179.8° |
| C11 | C16 | C15 | C14 | 0.1° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | O20 | 179.7° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.3° |
| C13 | C14 | C15 | O20 | 179.6° | 180.0° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| C14 | C15 | C16 | O20 | 179.8° | 179.8° |
| C14 | C15 | C16 | H16 | 179.9° | 179.8° |
| C14 | C15 | O20 | C21 | 33.5° | 5.1° |
| H14 | C14 | C15 | C16 | 179.8° | 179.7° |
| H14 | C14 | C15 | O20 | 0.4° | 0.0° |
| C16 | C15 | O20 | C21 | 146.4° | 174.7° |
| O20 | C15 | C16 | H16 | 0.3° | 0.0° |
| C15 | O20 | C21 | C26 | 83.4° | 110.4° |
| C15 | O20 | C21 | C22 | 95.9° | 69.9° |
| C3' | C2' | H2' | H2'A | 122.5° | 122.4° |
| C2' | C3' | C4' | H3' | 121.5° | 119.0° |
| C2' | C3' | C4' | C5' | 23.6° | 0.0° |
| C2' | C3' | C4' | H4' | 147.4° | 119.0° |
| H2' | C2' | C3' | C4' | 146.2° | 142.7° |
| H2' | C2' | C3' | H3' | 30.7° | 23.6° |
| H2'A | C2' | C3' | C4' | 93.8° | 95.0° |
| H2'A | C2' | C3' | H3' | 150.7° | 146.0° |
| O20 | C21 | C26 | C22 | 179.4° | 179.7° |
| O20 | C21 | C22 | C23 | 179.6° | 180.0° |
| O20 | C21 | C22 | H22 | 0.4° | 0.1° |
| O20 | C21 | C26 | C25 | 179.7° | 179.7° |
| O20 | C21 | C26 | H26 | 0.3° | 0.3° |
| C26 | C21 | C22 | C23 | 0.3° | 0.3° |
| C26 | C21 | C22 | H22 | 179.8° | 179.8° |
| C21 | C26 | C25 | C24 | 0.2° | 0.6° |
| C21 | C26 | C25 | H26 | 180.0° | 179.4° |
| C21 | C26 | C25 | H25 | 179.8° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C21 | C26 | C25 | 0.3° | 0.6° |
| C22 | C21 | C26 | H26 | 179.7° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| H22 | C22 | C23 | C24 | 179.9° | 179.9° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.3° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.7° |
| C24 | C25 | C26 | H26 | 179.8° | 180.0° |
| H24 | C24 | C25 | C26 | 179.9° | 179.7° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H25 | C25 | C26 | H26 | 0.2° | 0.3° |
| C3' | C4' | C5' | H4' | 117.7° | 118.9° |
| C3' | C4' | C5' | H5' | 131.9° | 94.9° |
| C3' | C4' | C5' | H5'A | 108.1° | 142.6° |
| H3' | C3' | C4' | C5' | 97.8° | 118.9° |
| H3' | C3' | C4' | H4' | 25.9° | 0.0° |
| C4' | C5' | H5' | H5'A | 121.2° | 122.5° |
| H4' | C4' | C5' | H5' | 110.4° | 146.2° |
| H4' | C4' | C5' | H5'A | 9.7° | 23.7° |
