QNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C1 | sing | 1.51Å | 1.50Å | |
| C14 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O15 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O17 | C14 | sing | 1.34Å | 1.45Å | |
| C14 | O16 | doub | 1.21Å | 1.22Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| O17 | C18 | sing | 1.45Å | 1.43Å | |
| C23 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N20 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | N20 | sing | 1.47Å | 1.48Å | |
| C25 | N20 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C1 | C14 | 111.9° | 109.5° |
| C8 | C1 | O15 | 108.1° | 109.4° |
| C8 | C1 | C2 | 110.4° | 109.5° |
| C1 | C8 | C13 | 120.8° | 120.1° |
| C1 | C8 | C9 | 119.7° | 120.0° |
| C14 | C1 | O15 | 108.3° | 109.5° |
| C14 | C1 | C2 | 110.1° | 109.5° |
| C1 | C14 | O17 | 121.3° | 120.0° |
| C1 | C14 | O16 | 120.4° | 120.0° |
| O15 | C1 | C2 | 108.0° | 109.5° |
| C1 | O15 | HO15 | 109.5° | 114.0° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C1 | C2 | C7 | 119.6° | 120.0° |
| C3 | C2 | C7 | 119.9° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C2 | C7 | C6 | 120.2° | 120.0° |
| C2 | C7 | H7 | 119.9° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C13 | C8 | C9 | 119.5° | 119.9° |
| C8 | C13 | C12 | 120.5° | 120.0° |
| C8 | C13 | H13 | 119.8° | 119.9° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| O17 | C14 | O16 | 118.3° | 120.0° |
| C14 | O17 | C18 | 112.6° | 117.0° |
| O17 | C18 | C23 | 108.9° | 109.6° |
| O17 | C18 | C19 | 109.9° | 109.6° |
| O17 | C18 | H18 | 110.6° | 109.6° |
| C23 | C18 | C19 | 108.9° | 108.8° |
| C23 | C18 | H18 | 109.3° | 109.7° |
| C18 | C23 | C22 | 108.6° | 108.6° |
| C18 | C23 | C24 | 110.8° | 108.6° |
| C18 | C23 | H23 | 110.0° | 110.1° |
| C19 | C18 | H18 | 109.2° | 109.6° |
| C18 | C19 | N20 | 108.7° | 109.3° |
| C18 | C19 | H19 | 109.6° | 109.5° |
| C18 | C19 | H19A | 109.7° | 109.5° |
| N20 | C19 | H19 | 109.7° | 109.5° |
| N20 | C19 | H19A | 109.7° | 109.5° |
| C19 | N20 | C21 | 112.6° | 111.1° |
| C19 | N20 | C25 | 108.7° | 111.0° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| C21 | N20 | C25 | 110.9° | 111.0° |
| N20 | C21 | C22 | 109.7° | 109.3° |
| N20 | C21 | H21 | 109.4° | 109.5° |
| N20 | C21 | H21A | 109.4° | 109.5° |
| N20 | C25 | C24 | 107.6° | 109.4° |
| N20 | C25 | H25 | 110.0° | 109.5° |
| N20 | C25 | H25A | 109.9° | 109.5° |
| C22 | C21 | H21 | 109.4° | 109.6° |
| C22 | C21 | H21A | 109.4° | 109.5° |
| C21 | C22 | C23 | 107.8° | 108.9° |
| C21 | C22 | H22 | 109.9° | 109.6° |
| C21 | C22 | H22A | 109.9° | 109.6° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| C23 | C22 | H22 | 109.9° | 109.6° |
| C23 | C22 | H22A | 109.9° | 109.6° |
| C22 | C23 | C24 | 107.4° | 108.6° |
| C22 | C23 | H23 | 110.0° | 110.1° |
| H22 | C22 | H22A | 109.5° | 109.6° |
| C24 | C23 | H23 | 109.9° | 110.7° |
| C23 | C24 | C25 | 109.2° | 108.8° |
| C23 | C24 | H24 | 109.5° | 109.6° |
| C23 | C24 | H24A | 109.5° | 109.6° |
| C25 | C24 | H24 | 109.5° | 109.6° |
| C25 | C24 | H24A | 109.6° | 109.6° |
| C24 | C25 | H25 | 109.9° | 109.5° |
| C24 | C25 | H25A | 109.9° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.7° |
| H25 | C25 | H25A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C1 | C14 | O15 | 119.0° | 119.9° |
| C8 | C1 | C14 | C2 | 123.1° | 120.1° |
| C8 | C1 | O15 | C2 | 119.4° | 120.0° |
| C8 | C1 | C2 | C3 | 40.6° | 54.5° |
| C8 | C1 | C2 | C7 | 138.2° | 125.3° |
| C1 | C8 | C13 | C9 | 178.7° | 179.7° |
| C1 | C8 | C9 | C10 | 179.6° | 179.9° |
| C1 | C8 | C9 | H9 | 0.4° | 0.0° |
| C1 | C8 | C13 | C12 | 179.6° | 179.7° |
| C1 | C8 | C13 | H13 | 0.4° | 0.2° |
| C8 | C1 | C14 | O17 | 41.1° | 85.0° |
| C8 | C1 | C14 | O16 | 138.4° | 95.0° |
| C8 | C1 | O15 | HO15 | 129.9° | 180.0° |
| C14 | C1 | O15 | C2 | 119.2° | 120.1° |
| C14 | C1 | C2 | C3 | 83.4° | 65.6° |
| C14 | C1 | C2 | C7 | 97.8° | 114.7° |
| C14 | C1 | C8 | C13 | 9.9° | 139.7° |
| C14 | C1 | C8 | C9 | 171.5° | 40.0° |
| C1 | C14 | O17 | O16 | 179.5° | 180.0° |
| C14 | C1 | O15 | HO15 | 8.5° | 60.0° |
| C1 | C14 | O17 | C18 | 158.0° | 180.0° |
| O15 | C1 | C2 | C3 | 158.5° | 174.4° |
| O15 | C1 | C2 | C7 | 20.2° | 5.4° |
| O15 | C1 | C8 | C13 | 109.2° | 19.7° |
| O15 | C1 | C8 | C9 | 69.4° | 160.0° |
| O15 | C1 | C14 | O17 | 160.1° | 34.9° |
| O15 | C1 | C14 | O16 | 19.4° | 145.0° |
| C1 | C2 | C3 | C7 | 178.7° | 179.7° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C1 | C2 | C3 | H3 | 0.4° | 0.0° |
| C1 | C2 | C7 | C6 | 179.6° | 179.8° |
| C1 | C2 | C7 | H7 | 0.4° | 0.1° |
| C2 | C1 | C8 | C13 | 132.8° | 100.2° |
| C2 | C1 | C8 | C9 | 48.5° | 80.0° |
| C2 | C1 | C14 | O17 | 82.0° | 154.9° |
| C2 | C1 | C14 | O16 | 98.4° | 25.0° |
| C2 | C1 | O15 | HO15 | 110.7° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C2 | C3 | C4 | H4 | 179.5° | 179.9° |
| C3 | C2 | C7 | C6 | 0.8° | 0.5° |
| C3 | C2 | C7 | H7 | 179.2° | 179.7° |
| C7 | C2 | C3 | C4 | 0.9° | 0.3° |
| C7 | C2 | C3 | H3 | 179.2° | 179.8° |
| C2 | C7 | C6 | C5 | 0.4° | 0.4° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | H6 | 179.5° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | NaN° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| H3 | C3 | C4 | C5 | 179.5° | 180.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | H7 | 179.6° | 179.7° |
| H5 | C5 | C6 | C7 | 179.9° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| C13 | C8 | C9 | C10 | 0.9° | 0.3° |
| C13 | C8 | C9 | H9 | 179.1° | 179.7° |
| C8 | C13 | C12 | C11 | 0.4° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.5° |
| C8 | C13 | C12 | H12 | 179.6° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.5° | 0.1° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| C9 | C8 | C13 | C12 | 0.9° | 0.6° |
| C9 | C8 | C13 | H13 | 179.1° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| H9 | C9 | C10 | C11 | 179.5° | 180.0° |
| H9 | C9 | C10 | H10 | 0.5° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.2° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| H11 | C11 | C12 | C13 | 180.0° | 179.8° |
| H11 | C11 | C12 | H12 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 0.5° | 0.2° |
| C14 | O17 | C18 | C23 | 156.2° | 150.6° |
| C14 | O17 | C18 | C19 | 84.6° | 90.0° |
| C14 | O17 | C18 | H18 | 36.1° | 30.2° |
| O16 | C14 | O17 | C18 | 22.5° | 0.0° |
| O17 | C18 | C23 | C19 | 119.8° | 119.8° |
| O17 | C18 | C23 | H18 | 120.9° | 120.3° |
| O17 | C18 | C19 | H18 | 121.5° | 120.2° |
| O17 | C18 | C19 | N20 | 123.7° | 119.8° |
| O17 | C18 | C19 | H19 | 116.4° | 120.2° |
| O17 | C18 | C19 | H19A | 3.8° | 0.2° |
| O17 | C18 | C23 | C22 | 62.1° | 60.8° |
| O17 | C18 | C23 | C24 | 179.9° | 178.8° |
| O17 | C18 | C23 | H23 | 58.3° | 59.8° |
| C23 | C18 | C19 | H18 | 119.3° | 119.9° |
| C23 | C18 | C19 | N20 | 4.5° | 0.1° |
| C23 | C18 | C19 | H19 | 124.4° | 119.9° |
| C23 | C18 | C19 | H19A | 115.4° | 120.0° |
| C18 | C23 | C22 | C21 | 66.1° | 59.0° |
| C18 | C23 | C22 | C24 | 119.9° | 117.9° |
| C18 | C23 | C22 | H23 | 120.4° | 120.7° |
| C18 | C23 | C22 | H22 | 174.2° | 178.8° |
| C18 | C23 | C22 | H22A | 53.7° | 60.8° |
| C18 | C23 | C24 | H23 | 121.8° | 121.0° |
| C18 | C23 | C24 | C25 | 49.6° | 59.0° |
| C18 | C23 | C24 | H24 | 169.6° | 178.8° |
| C18 | C23 | C24 | H24A | 70.3° | 60.8° |
| C18 | C19 | N20 | H19 | 119.9° | 120.0° |
| C18 | C19 | N20 | H19A | 119.9° | 119.9° |
| C18 | C19 | H19 | H19A | 120.3° | 120.0° |
| C18 | C19 | N20 | C21 | 62.5° | 62.0° |
| C18 | C19 | N20 | C25 | 60.8° | 62.1° |
| C19 | C18 | C23 | C22 | 57.7° | 59.0° |
| C19 | C18 | C23 | C24 | 60.0° | 58.9° |
| C19 | C18 | C23 | H23 | 178.2° | 179.7° |
| H18 | C18 | C19 | N20 | 114.8° | 120.0° |
| H18 | C18 | C19 | H19 | 5.1° | 0.0° |
| H18 | C18 | C19 | H19A | 125.3° | 120.1° |
| H18 | C18 | C23 | C22 | 177.0° | 178.9° |
| H18 | C18 | C23 | C24 | 59.2° | 60.9° |
| H18 | C18 | C23 | H23 | 62.6° | 60.5° |
| N20 | C19 | H19 | H19A | 120.4° | 120.1° |
| C19 | N20 | C21 | C25 | 122.1° | 124.1° |
| C19 | N20 | C21 | C22 | 54.1° | 62.0° |
| C19 | N20 | C21 | H21 | 174.2° | 178.0° |
| C19 | N20 | C21 | H21A | 65.9° | 58.0° |
| C19 | N20 | C25 | C24 | 71.6° | 62.0° |
| C19 | N20 | C25 | H25 | 48.2° | 58.0° |
| C19 | N20 | C25 | H25A | 168.8° | 178.0° |
| H19 | C19 | N20 | C21 | 177.6° | 178.0° |
| H19 | C19 | N20 | C25 | 59.0° | 57.9° |
| H19A | C19 | N20 | C21 | 57.4° | 58.0° |
| H19A | C19 | N20 | C25 | 179.3° | 178.0° |
| N20 | C21 | C22 | H21 | 120.0° | 119.9° |
| N20 | C21 | C22 | H21A | 120.0° | 119.9° |
| N20 | C21 | H21 | H21A | 119.9° | 120.0° |
| N20 | C21 | C22 | C23 | 10.2° | 0.1° |
| N20 | C21 | C22 | H22 | 129.9° | 119.9° |
| N20 | C21 | C22 | H22A | 109.5° | 119.8° |
| C21 | N20 | C25 | C24 | 52.8° | 62.1° |
| C21 | N20 | C25 | H25 | 172.5° | 177.9° |
| C21 | N20 | C25 | H25A | 66.9° | 57.9° |
| C25 | N20 | C21 | C22 | 68.0° | 62.1° |
| C25 | N20 | C21 | H21 | 52.1° | 57.9° |
| C25 | N20 | C21 | H21A | 172.0° | 178.0° |
| N20 | C25 | C24 | C23 | 13.6° | 0.1° |
| N20 | C25 | C24 | H25 | 119.7° | 120.0° |
| N20 | C25 | C24 | H25A | 119.7° | 120.0° |
| N20 | C25 | C24 | H24 | 106.3° | 119.8° |
| N20 | C25 | C24 | H24A | 133.6° | 119.7° |
| N20 | C25 | H25 | H25A | 120.9° | 120.0° |
| C22 | C21 | H21 | H21A | 119.9° | 120.1° |
| C21 | C22 | C23 | H22 | 119.8° | 119.8° |
| C21 | C22 | C23 | H22A | 119.7° | 119.9° |
| C21 | C22 | H22 | H22A | 120.8° | 120.3° |
| C21 | C22 | C23 | C24 | 53.9° | 58.9° |
| C21 | C22 | C23 | H23 | 173.5° | 179.7° |
| H21 | C21 | C22 | C23 | 109.9° | 119.9° |
| H21 | C21 | C22 | H22 | 9.9° | 0.0° |
| H21 | C21 | C22 | H22A | 130.4° | 120.3° |
| H21A | C21 | C22 | C23 | 130.2° | 120.0° |
| H21A | C21 | C22 | H22 | 110.1° | 120.2° |
| H21A | C21 | C22 | H22A | 10.5° | 0.1° |
| C23 | C22 | H22 | H22A | 120.8° | 120.3° |
| C22 | C23 | C24 | H23 | 119.7° | 121.0° |
| C22 | C23 | C24 | C25 | 68.8° | 58.9° |
| C22 | C23 | C24 | H24 | 51.1° | 60.9° |
| C22 | C23 | C24 | H24A | 171.2° | 178.7° |
| H22 | C22 | C23 | C24 | 65.9° | 60.9° |
| H22 | C22 | C23 | H23 | 53.8° | 60.5° |
| H22A | C22 | C23 | C24 | 173.6° | 178.8° |
| H22A | C22 | C23 | H23 | 66.8° | 59.8° |
| C23 | C24 | C25 | H24 | 119.9° | 119.8° |
| C23 | C24 | C25 | H24A | 119.9° | 119.8° |
| C23 | C24 | H24 | H24A | 120.1° | 120.3° |
| C23 | C24 | C25 | H25 | 106.1° | 120.1° |
| C23 | C24 | C25 | H25A | 133.3° | 119.9° |
| H23 | C23 | C24 | C25 | 171.5° | 180.0° |
| H23 | C23 | C24 | H24 | 68.6° | 60.2° |
| H23 | C23 | C24 | H24A | 51.5° | 60.2° |
| C25 | C24 | H24 | H24A | 120.2° | 120.4° |
| C24 | C25 | H25 | H25A | 120.8° | 120.0° |
| H24 | C24 | C25 | H25 | 133.9° | 120.2° |
| H24 | C24 | C25 | H25A | 13.4° | 0.1° |
| H24A | C24 | C25 | H25 | 13.8° | 0.3° |
| H24A | C24 | C25 | H25A | 106.7° | 120.3° |
