QJ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.38Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.38Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| O09 | C08 | sing | 1.43Å | 1.42Å | |
| O09 | C10 | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.54Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C10 | C2' | sing | 1.53Å | 1.53Å | |
| C2' | N1' | sing | 1.49Å | 1.44Å | |
| C4' | O11 | sing | 1.43Å | 1.45Å | |
| C4' | C5' | sing | 1.54Å | 1.53Å | |
| O11 | C12 | sing | 1.43Å | 1.45Å | |
| C12 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | N21 | sing | 1.32Å | 1.37Å | Aromatic |
| C27 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | N22 | sing | 1.39Å | 1.36Å | |
| N1' | C5' | sing | 1.49Å | 1.46Å | |
| N22 | H1 | sing | 0.97Å | 1.00Å | |
| N22 | H2 | sing | 0.97Å | 1.00Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | 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 | |
| N1' | H13 | sing | 1.01Å | 1.00Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| N02 | H22 | sing | 0.97Å | 1.00Å | |
| N02 | H23 | sing | 0.97Å | 1.00Å | |
| C03 | H24 | sing | 1.08Å | 1.08Å | |
| C05 | H25 | sing | 1.08Å | 1.08Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 120.5° | 120.8° |
| C07 | C04 | C05 | 118.5° | 120.7° |
| C04 | C07 | H26 | 109.5° | 109.4° |
| C04 | C07 | H27 | 109.5° | 109.5° |
| C04 | C07 | H28 | 109.5° | 109.4° |
| C03 | C04 | C05 | 121.0° | 118.5° |
| C04 | C03 | C02 | 118.6° | 119.2° |
| C04 | C03 | H24 | 120.7° | 120.4° |
| C04 | C05 | C06 | 117.6° | 119.3° |
| C04 | C05 | H25 | 121.2° | 120.4° |
| C03 | C02 | N02 | 122.6° | 119.7° |
| C03 | C02 | N01 | 119.7° | 120.6° |
| C02 | C03 | H24 | 120.7° | 120.5° |
| C05 | C06 | N01 | 120.8° | 120.8° |
| C05 | C06 | C08 | 121.9° | 119.6° |
| C06 | C05 | H25 | 121.2° | 120.3° |
| N02 | C02 | N01 | 117.7° | 119.7° |
| C02 | N02 | H22 | 109.5° | 120.0° |
| C02 | N02 | H23 | 109.5° | 120.0° |
| C02 | N01 | C06 | 122.3° | 121.6° |
| N01 | C06 | C08 | 117.3° | 119.6° |
| C06 | C08 | O09 | 114.2° | 109.5° |
| C06 | C08 | H20 | 108.3° | 109.5° |
| C06 | C08 | H21 | 108.3° | 109.5° |
| C08 | O09 | C10 | 115.2° | 114.0° |
| O09 | C08 | H20 | 108.3° | 109.5° |
| O09 | C08 | H21 | 108.3° | 109.4° |
| O09 | C10 | C2' | 114.0° | 109.5° |
| O09 | C10 | H18 | 108.3° | 109.5° |
| O09 | C10 | H19 | 108.3° | 109.5° |
| C2' | C3' | C4' | 107.5° | 105.1° |
| C3' | C2' | C10 | 115.0° | 110.4° |
| C3' | C2' | N1' | 104.1° | 104.6° |
| C2' | C3' | H15 | 109.9° | 110.3° |
| C2' | C3' | H16 | 110.0° | 110.3° |
| C3' | C2' | H17 | 110.1° | 110.4° |
| C3' | C4' | O11 | 116.3° | 110.3° |
| C3' | C4' | C5' | 105.3° | 105.1° |
| C3' | C4' | H10 | 107.8° | 110.4° |
| C4' | C3' | H15 | 110.0° | 110.3° |
| C4' | C3' | H16 | 109.9° | 110.3° |
| C10 | C2' | N1' | 105.6° | 110.4° |
| C10 | C2' | H17 | 110.3° | 110.5° |
| C2' | C10 | H18 | 108.3° | 109.4° |
| C2' | C10 | H19 | 108.3° | 109.4° |
| C2' | N1' | C5' | 114.8° | 104.2° |
| C2' | N1' | H13 | 108.1° | 111.0° |
| N1' | C2' | H17 | 111.6° | 110.4° |
| O11 | C4' | C5' | 110.0° | 110.3° |
| C4' | O11 | C12 | 110.1° | 114.0° |
| O11 | C4' | H10 | 109.1° | 110.3° |
| C4' | C5' | N1' | 106.0° | 104.6° |
| C5' | C4' | H10 | 108.0° | 110.4° |
| C4' | C5' | H11 | 110.3° | 110.4° |
| C4' | C5' | H12 | 110.4° | 110.4° |
| O11 | C12 | C26 | 115.6° | 109.5° |
| O11 | C12 | H8 | 107.9° | 109.4° |
| O11 | C12 | H9 | 107.9° | 109.5° |
| C12 | C26 | C25 | 121.7° | 119.6° |
| C12 | C26 | N21 | 119.0° | 119.6° |
| C26 | C12 | H8 | 107.9° | 109.5° |
| C26 | C12 | H9 | 107.9° | 109.5° |
| C26 | C25 | C24 | 120.1° | 119.3° |
| C25 | C26 | N21 | 119.3° | 120.8° |
| C26 | C25 | H7 | 120.0° | 120.3° |
| C25 | C24 | C27 | 120.0° | 120.8° |
| C25 | C24 | C23 | 119.4° | 118.5° |
| C24 | C25 | H7 | 120.0° | 120.3° |
| C26 | N21 | C22 | 122.2° | 121.6° |
| C27 | C24 | C23 | 120.6° | 120.7° |
| C24 | C27 | H4 | 109.5° | 109.4° |
| C24 | C27 | H5 | 109.4° | 109.5° |
| C24 | C27 | H6 | 109.5° | 109.5° |
| C24 | C23 | C22 | 119.3° | 119.1° |
| C24 | C23 | H3 | 120.3° | 120.5° |
| N21 | C22 | C23 | 119.8° | 120.6° |
| N21 | C22 | N22 | 120.1° | 119.7° |
| C23 | C22 | N22 | 120.2° | 119.7° |
| C22 | C23 | H3 | 120.4° | 120.5° |
| C22 | N22 | H1 | 109.5° | 120.0° |
| C22 | N22 | H2 | 109.5° | 120.0° |
| N1' | C5' | H11 | 110.3° | 110.4° |
| N1' | C5' | H12 | 110.3° | 110.5° |
| C5' | N1' | H13 | 108.1° | 111.0° |
| H1 | N22 | H2 | 109.5° | 119.9° |
| H4 | C27 | H5 | 109.5° | 109.5° |
| H4 | C27 | H6 | 109.4° | 109.5° |
| H5 | C27 | H6 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H11 | C5' | H12 | 109.5° | 110.3° |
| H15 | C3' | H16 | 109.5° | 110.4° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C08 | H21 | 109.5° | 109.5° |
| H22 | N02 | H23 | 109.5° | 120.0° |
| H26 | C07 | H27 | 109.5° | 109.5° |
| H26 | C07 | H28 | 109.5° | 109.5° |
| H27 | C07 | H28 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.3° | 179.8° |
| C07 | C04 | C03 | C02 | 178.8° | 180.0° |
| C07 | C04 | C05 | C06 | 179.5° | 179.8° |
| C07 | C04 | C03 | H24 | 1.2° | 0.0° |
| C07 | C04 | C05 | H25 | 0.5° | 0.2° |
| C04 | C07 | H26 | H27 | 120.0° | 120.0° |
| C04 | C07 | H26 | H28 | 120.0° | 120.0° |
| C04 | C07 | H27 | H28 | 120.0° | 120.0° |
| C04 | C03 | C02 | H24 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.4° |
| C04 | C03 | C02 | N02 | 179.8° | 180.0° |
| C04 | C03 | C02 | N01 | 1.0° | 0.0° |
| C03 | C04 | C05 | H25 | 179.8° | 180.0° |
| C03 | C04 | C07 | H26 | 89.7° | 90.0° |
| C03 | C04 | C07 | H27 | 150.3° | 150.0° |
| C03 | C04 | C07 | H28 | 30.4° | 30.0° |
| C05 | C04 | C03 | C02 | 0.5° | 0.2° |
| C04 | C05 | C06 | H25 | 180.0° | 179.6° |
| C04 | C05 | C06 | N01 | 0.5° | 0.5° |
| C04 | C05 | C06 | C08 | 179.4° | 179.8° |
| C05 | C04 | C03 | H24 | 179.5° | 179.8° |
| C05 | C04 | C07 | H26 | 89.6° | 89.8° |
| C05 | C04 | C07 | H27 | 30.4° | 30.2° |
| C05 | C04 | C07 | H28 | 150.3° | 150.2° |
| C03 | C02 | N02 | N01 | 179.2° | 180.0° |
| C03 | C02 | N01 | C06 | 0.8° | 0.0° |
| C03 | C02 | N02 | H22 | 179.2° | 180.0° |
| C03 | C02 | N02 | H23 | 60.8° | 0.0° |
| C05 | C06 | N01 | C02 | 0.0° | 0.2° |
| C05 | C06 | N01 | C08 | 179.0° | 179.8° |
| C05 | C06 | C08 | O09 | 5.1° | 0.2° |
| C05 | C06 | C08 | H20 | 125.8° | 120.3° |
| C05 | C06 | C08 | H21 | 115.6° | 119.7° |
| N02 | C02 | N01 | C06 | 180.0° | 180.0° |
| C02 | N02 | H22 | H23 | 120.0° | 180.0° |
| N02 | C02 | C03 | H24 | 0.1° | 0.0° |
| C02 | N01 | C06 | C08 | 179.0° | 180.0° |
| N01 | C02 | N02 | H22 | 0.0° | 0.0° |
| N01 | C02 | N02 | H23 | 120.0° | 180.0° |
| N01 | C02 | C03 | H24 | 179.1° | 180.0° |
| N01 | C06 | C08 | O09 | 173.9° | 180.0° |
| N01 | C06 | C08 | H20 | 53.2° | 60.0° |
| N01 | C06 | C08 | H21 | 65.4° | 60.0° |
| N01 | C06 | C05 | H25 | 179.5° | 180.0° |
| C06 | C08 | O09 | H20 | 120.7° | 120.1° |
| C06 | C08 | O09 | H21 | 120.7° | 120.0° |
| C06 | C08 | O09 | C10 | 139.0° | 180.0° |
| C06 | C08 | H20 | H21 | 117.9° | 120.0° |
| C08 | C06 | C05 | H25 | 0.6° | 0.2° |
| C08 | O09 | C10 | C2' | 113.5° | 180.0° |
| C08 | O09 | C10 | H18 | 7.2° | 60.0° |
| C08 | O09 | C10 | H19 | 125.8° | 60.1° |
| O09 | C08 | H20 | H21 | 117.9° | 120.0° |
| O09 | C10 | C2' | C3' | 84.9° | 175.0° |
| O09 | C10 | C2' | H18 | 120.7° | 120.0° |
| O09 | C10 | C2' | H19 | 120.7° | 120.0° |
| O09 | C10 | C2' | N1' | 161.0° | 69.8° |
| O09 | C10 | C2' | H17 | 40.3° | 52.6° |
| O09 | C10 | H18 | H19 | 118.0° | 120.1° |
| C10 | O09 | C08 | H20 | 100.3° | 60.0° |
| C10 | O09 | C08 | H21 | 18.3° | 60.0° |
| C2' | C3' | C4' | H15 | 119.7° | 118.8° |
| C2' | C3' | C4' | H16 | 119.7° | 118.9° |
| C3' | C2' | C10 | N1' | 114.2° | 115.1° |
| C3' | C2' | C10 | H17 | 125.2° | 122.4° |
| C3' | C2' | N1' | H17 | 118.7° | 118.8° |
| C2' | C3' | C4' | O11 | 137.0° | 118.9° |
| C2' | C3' | C4' | C5' | 15.0° | 0.0° |
| C3' | C2' | N1' | C5' | 9.0° | 39.5° |
| C2' | C3' | C4' | H10 | 100.1° | 119.0° |
| C3' | C2' | N1' | H13 | 111.8° | 159.0° |
| C2' | C3' | H15 | H16 | 120.9° | 122.2° |
| C3' | C2' | C10 | H18 | 154.5° | 55.0° |
| C3' | C2' | C10 | H19 | 35.8° | 65.0° |
| C4' | C3' | C2' | C10 | 100.4° | 142.6° |
| C4' | C3' | C2' | N1' | 14.6° | 23.9° |
| C3' | C4' | O11 | C5' | 119.5° | 115.7° |
| C3' | C4' | O11 | H10 | 122.2° | 122.2° |
| C3' | C4' | C5' | H10 | 115.0° | 119.0° |
| C3' | C4' | O11 | C12 | 156.4° | 152.9° |
| C3' | C4' | C5' | N1' | 9.5° | 23.8° |
| C3' | C4' | C5' | H11 | 129.0° | 142.6° |
| C3' | C4' | C5' | H12 | 110.0° | 95.1° |
| C4' | C3' | H15 | H16 | 120.9° | 122.2° |
| C4' | C3' | C2' | H17 | 134.3° | 94.9° |
| C10 | C2' | N1' | H17 | 119.8° | 122.5° |
| C10 | C2' | N1' | C5' | 112.5° | 158.2° |
| C10 | C2' | N1' | H13 | 126.7° | 82.2° |
| C10 | C2' | C3' | H15 | 19.3° | 98.5° |
| C10 | C2' | C3' | H16 | 139.9° | 23.7° |
| C2' | C10 | H18 | H19 | 117.9° | 119.9° |
| C2' | N1' | C5' | C4' | 0.3° | 39.5° |
| C2' | N1' | C5' | H13 | 120.8° | 119.5° |
| C2' | N1' | C5' | H11 | 119.7° | 158.3° |
| C2' | N1' | C5' | H12 | 119.2° | 79.4° |
| N1' | C2' | C3' | H15 | 134.3° | 142.7° |
| N1' | C2' | C3' | H16 | 105.0° | 95.1° |
| N1' | C2' | C10 | H18 | 40.3° | 170.1° |
| N1' | C2' | C10 | H19 | 78.3° | 50.2° |
| O11 | C4' | C5' | H10 | 119.0° | 122.1° |
| C4' | O11 | C12 | C26 | 176.4° | 180.0° |
| O11 | C4' | C5' | N1' | 135.5° | 142.7° |
| C4' | O11 | C12 | H8 | 55.5° | 60.0° |
| C4' | O11 | C12 | H9 | 62.7° | 60.0° |
| O11 | C4' | C5' | H11 | 105.0° | 98.5° |
| O11 | C4' | C5' | H12 | 16.1° | 23.8° |
| O11 | C4' | C3' | H15 | 103.3° | 0.0° |
| O11 | C4' | C3' | H16 | 17.3° | 122.2° |
| C5' | C4' | O11 | C12 | 84.1° | 91.4° |
| C4' | C5' | N1' | H11 | 119.4° | 118.8° |
| C4' | C5' | N1' | H12 | 119.5° | 118.9° |
| C4' | C5' | H11 | H12 | 121.6° | 122.4° |
| C4' | C5' | N1' | H13 | 121.1° | 159.0° |
| C5' | C4' | C3' | H15 | 134.7° | 118.9° |
| C5' | C4' | C3' | H16 | 104.7° | 118.9° |
| O11 | C12 | C26 | H8 | 120.9° | 119.9° |
| O11 | C12 | C26 | H9 | 120.9° | 120.1° |
| O11 | C12 | C26 | C25 | 13.9° | 0.0° |
| O11 | C12 | C26 | N21 | 166.1° | 179.7° |
| O11 | C12 | H8 | H9 | 117.2° | 120.0° |
| C12 | O11 | C4' | H10 | 34.2° | 30.7° |
| C12 | C26 | C25 | N21 | 179.9° | 179.7° |
| C12 | C26 | C25 | C24 | 179.8° | 180.0° |
| C12 | C26 | N21 | C22 | 179.6° | 179.7° |
| C12 | C26 | C25 | H7 | 0.2° | 0.2° |
| C26 | C12 | H8 | H9 | 117.2° | 120.0° |
| C26 | C25 | C24 | H7 | 180.0° | 179.8° |
| C26 | C25 | C24 | C27 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C25 | C26 | N21 | C22 | 0.4° | 0.6° |
| C25 | C26 | C12 | H8 | 107.0° | 120.0° |
| C25 | C26 | C12 | H9 | 134.8° | 120.0° |
| C24 | C25 | C26 | N21 | 0.3° | 0.3° |
| C25 | C24 | C27 | C23 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H3 | 179.8° | 179.9° |
| C25 | C24 | C27 | H4 | 90.0° | 90.0° |
| C25 | C24 | C27 | H5 | 150.0° | 29.9° |
| C25 | C24 | C27 | H6 | 30.0° | 149.9° |
| C26 | N21 | C22 | C23 | 0.2° | 0.6° |
| C26 | N21 | C22 | N22 | 179.8° | 179.7° |
| N21 | C26 | C25 | H7 | 179.7° | 179.9° |
| N21 | C26 | C12 | H8 | 73.0° | 59.7° |
| N21 | C26 | C12 | H9 | 45.2° | 60.3° |
| C27 | C24 | C23 | C22 | 179.8° | 180.0° |
| C27 | C24 | C23 | H3 | 0.2° | 0.1° |
| C24 | C27 | H4 | H5 | 120.0° | 119.9° |
| C24 | C27 | H4 | H6 | 120.0° | 120.1° |
| C24 | C27 | H5 | H6 | 120.0° | 120.0° |
| C27 | C24 | C25 | H7 | 0.0° | 0.2° |
| C24 | C23 | C22 | N21 | 0.1° | 0.3° |
| C24 | C23 | C22 | H3 | 180.0° | 179.9° |
| C24 | C23 | C22 | N22 | 179.9° | 180.0° |
| C23 | C24 | C27 | H4 | 90.0° | 90.0° |
| C23 | C24 | C27 | H5 | 30.0° | 150.0° |
| C23 | C24 | C27 | H6 | 150.0° | 30.1° |
| C23 | C24 | C25 | H7 | 180.0° | 179.8° |
| N21 | C22 | C23 | N22 | 180.0° | 179.7° |
| N21 | C22 | N22 | H1 | 0.0° | 179.7° |
| N21 | C22 | N22 | H2 | 120.0° | 0.6° |
| N21 | C22 | C23 | H3 | 179.9° | 179.8° |
| C23 | C22 | N22 | H1 | 180.0° | 0.0° |
| C23 | C22 | N22 | H2 | 60.0° | 179.7° |
| C22 | N22 | H1 | H2 | 120.0° | 179.7° |
| N22 | C22 | C23 | H3 | 0.1° | 0.1° |
| N1' | C5' | C4' | H10 | 105.5° | 95.2° |
| N1' | C5' | H11 | H12 | 121.6° | 122.4° |
| C5' | N1' | C2' | H17 | 127.7° | 79.3° |
| H4 | C27 | H5 | H6 | 120.0° | 120.1° |
| H10 | C4' | C5' | H11 | 14.0° | 23.6° |
| H10 | C4' | C5' | H12 | 135.1° | 145.9° |
| H10 | C4' | C3' | H15 | 19.5° | 122.2° |
| H10 | C4' | C3' | H16 | 140.2° | 0.1° |
| H11 | C5' | N1' | H13 | 119.5° | 82.2° |
| H12 | C5' | N1' | H13 | 1.6° | 40.1° |
| H13 | N1' | C2' | H17 | 6.9° | 40.3° |
| H15 | C3' | C2' | H17 | 106.0° | 24.0° |
| H16 | C3' | C2' | H17 | 14.7° | 146.2° |
| H17 | C2' | C10 | H18 | 80.3° | 67.4° |
| H17 | C2' | C10 | H19 | 161.0° | 172.6° |
| H26 | C07 | H27 | H28 | 120.0° | 120.1° |
