6Z7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | O6 | sing | 1.36Å | 1.36Å | |
| C5 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | N9 | sing | 1.40Å | 1.41Å | |
| C8 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| N9 | C10 | sing | 1.39Å | 1.42Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.50Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | O17 | doub | 1.22Å | 1.23Å | |
| C16 | N18 | sing | 1.35Å | 1.36Å | |
| N18 | C19 | sing | 1.40Å | 1.42Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | N25 | sing | 1.47Å | 1.49Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N25 | C26 | sing | 1.47Å | 1.49Å | |
| N25 | HN25 | sing | 1.01Å | 1.00Å | |
| N25 | HN2A | sing | 1.01Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H1A | 109.4° | 109.5° |
| O2 | C1 | H1B | 109.5° | 109.5° |
| C1 | O2 | C3 | 118.0° | 117.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| O2 | C3 | C4 | 128.5° | 120.0° |
| O2 | C3 | C29 | 111.5° | 120.0° |
| C4 | C3 | C29 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | C29 | C8 | 120.8° | 120.0° |
| C3 | C29 | H29 | 119.6° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | O6 | 120.7° | 120.0° |
| C4 | C5 | C7 | 120.0° | 120.0° |
| O6 | C5 | C7 | 119.2° | 120.0° |
| C5 | O6 | HO6 | 109.5° | 114.0° |
| C5 | C7 | C8 | 120.5° | 120.0° |
| C5 | C7 | H7 | 119.8° | 120.0° |
| C8 | C7 | H7 | 119.7° | 120.0° |
| C7 | C8 | N9 | 118.5° | 120.0° |
| C7 | C8 | C29 | 118.7° | 120.0° |
| N9 | C8 | C29 | 122.8° | 120.0° |
| C8 | N9 | C10 | 134.1° | 120.0° |
| C8 | N9 | HN9 | 113.0° | 120.0° |
| C8 | C29 | H29 | 119.6° | 120.0° |
| C10 | N9 | HN9 | 112.9° | 120.0° |
| N9 | C10 | C11 | 124.1° | 120.0° |
| N9 | C10 | C15 | 117.1° | 119.9° |
| C11 | C10 | C15 | 118.8° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.1° |
| C10 | C11 | H11 | 119.7° | 119.9° |
| C10 | C15 | C14 | 120.7° | 120.0° |
| C10 | C15 | H15 | 119.6° | 120.0° |
| C12 | C11 | H11 | 119.8° | 119.9° |
| C11 | C12 | C13 | 120.7° | 119.9° |
| C11 | C12 | H12 | 119.7° | 120.1° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | 118.8° | 119.9° |
| C12 | C13 | C16 | 119.6° | 120.0° |
| C14 | C13 | C16 | 121.6° | 120.1° |
| C13 | C14 | C15 | 120.5° | 119.9° |
| C13 | C14 | H14 | 119.7° | 120.1° |
| C13 | C16 | O17 | 120.5° | 120.0° |
| C13 | C16 | N18 | 116.9° | 120.0° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| C14 | C15 | H15 | 119.7° | 120.0° |
| O17 | C16 | N18 | 122.6° | 120.0° |
| C16 | N18 | C19 | 128.5° | 120.0° |
| C16 | N18 | HN18 | 115.7° | 120.0° |
| C19 | N18 | HN18 | 115.7° | 120.0° |
| N18 | C19 | C20 | 123.3° | 120.1° |
| N18 | C19 | C28 | 117.7° | 120.2° |
| C20 | C19 | C28 | 119.0° | 119.7° |
| C19 | C20 | C21 | 120.5° | 119.8° |
| C19 | C20 | H20 | 119.8° | 120.1° |
| C19 | C28 | C27 | 120.9° | 120.3° |
| C19 | C28 | H28 | 119.6° | 119.9° |
| C21 | C20 | H20 | 119.7° | 120.1° |
| C20 | C21 | C22 | 120.8° | 120.4° |
| C20 | C21 | H21 | 119.6° | 119.8° |
| C22 | C21 | H21 | 119.6° | 119.8° |
| C21 | C22 | C23 | 117.9° | 118.6° |
| C21 | C22 | C27 | 119.2° | 120.0° |
| C23 | C22 | C27 | 122.9° | 121.4° |
| C22 | C23 | C24 | 113.4° | 109.8° |
| C22 | C23 | H23 | 108.5° | 109.5° |
| C22 | C23 | H23A | 108.5° | 109.4° |
| C22 | C27 | C26 | 120.1° | 121.7° |
| C22 | C27 | C28 | 119.7° | 119.8° |
| C24 | C23 | H23 | 108.5° | 109.4° |
| C24 | C23 | H23A | 108.5° | 109.4° |
| C23 | C24 | N25 | 110.6° | 108.6° |
| C23 | C24 | H24 | 109.2° | 109.6° |
| C23 | C24 | H24A | 109.2° | 109.6° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| N25 | C24 | H24 | 109.2° | 109.6° |
| N25 | C24 | H24A | 109.2° | 109.6° |
| C24 | N25 | C26 | 111.3° | 109.0° |
| C24 | N25 | HN25 | 109.0° | 109.5° |
| C24 | N25 | HN2A | 109.0° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.7° |
| C26 | N25 | HN25 | 109.0° | 109.6° |
| C26 | N25 | HN2A | 109.0° | 109.6° |
| N25 | C26 | C27 | 108.7° | 110.6° |
| N25 | C26 | H26 | 109.7° | 109.2° |
| N25 | C26 | H26A | 109.7° | 109.3° |
| HN25 | N25 | HN2A | 109.5° | 109.6° |
| C27 | C26 | H26 | 109.7° | 109.3° |
| C27 | C26 | H26A | 109.7° | 109.2° |
| C26 | C27 | C28 | 120.2° | 118.5° |
| H26 | C26 | H26A | 109.5° | 109.3° |
| C27 | C28 | H28 | 119.5° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H1 | H1A | 120.0° | 120.0° |
| O2 | C1 | H1 | H1B | 120.0° | 120.0° |
| O2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | O2 | C3 | C4 | 5.0° | 0.1° |
| C1 | O2 | C3 | C29 | 172.7° | 179.7° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | O2 | C3 | 180.0° | 60.0° |
| H1A | C1 | O2 | C3 | 60.0° | 60.1° |
| H1B | C1 | O2 | C3 | 60.0° | 180.0° |
| O2 | C3 | C4 | C29 | 177.6° | 179.8° |
| O2 | C3 | C4 | C5 | 178.5° | 180.0° |
| O2 | C3 | C4 | H4 | 1.5° | 0.0° |
| O2 | C3 | C29 | C8 | 179.1° | 179.8° |
| O2 | C3 | C29 | H29 | 0.9° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | O6 | 178.7° | 180.0° |
| C3 | C4 | C5 | C7 | 0.8° | 0.1° |
| C4 | C3 | C29 | C8 | 1.1° | 0.5° |
| C4 | C3 | C29 | H29 | 178.9° | 179.7° |
| C29 | C3 | C4 | C5 | 1.0° | 0.2° |
| C29 | C3 | C4 | H4 | 179.0° | 179.7° |
| C3 | C29 | C8 | C7 | 1.0° | 0.4° |
| C3 | C29 | C8 | N9 | 179.6° | 179.8° |
| C3 | C29 | C8 | H29 | 180.0° | 179.8° |
| C4 | C5 | O6 | C7 | 179.4° | 179.9° |
| C4 | C5 | O6 | HO6 | 180.0° | 90.0° |
| C4 | C5 | C7 | C8 | 0.7° | 0.1° |
| C4 | C5 | C7 | H7 | 179.4° | 180.0° |
| H4 | C4 | C5 | O6 | 1.3° | 0.0° |
| H4 | C4 | C5 | C7 | 179.2° | 180.0° |
| O6 | C5 | C7 | C8 | 178.8° | 180.0° |
| O6 | C5 | C7 | H7 | 1.2° | 0.0° |
| C7 | C5 | O6 | HO6 | 0.6° | 90.0° |
| C5 | C7 | C8 | H7 | 180.0° | 179.9° |
| C5 | C7 | C8 | N9 | 179.8° | 179.9° |
| C5 | C7 | C8 | C29 | 0.8° | 0.2° |
| C7 | C8 | N9 | C29 | 179.4° | 179.8° |
| C7 | C8 | N9 | C10 | 157.4° | 32.5° |
| C7 | C8 | N9 | HN9 | 22.6° | 147.5° |
| C7 | C8 | C29 | H29 | 179.0° | 179.8° |
| H7 | C7 | C8 | N9 | 0.2° | 0.0° |
| H7 | C7 | C8 | C29 | 179.2° | 179.8° |
| C8 | N9 | C10 | HN9 | 180.0° | 180.0° |
| C8 | N9 | C10 | C11 | 6.9° | 151.5° |
| C8 | N9 | C10 | C15 | 173.0° | 28.6° |
| N9 | C8 | C29 | H29 | 0.5° | 0.0° |
| C29 | C8 | N9 | C10 | 23.2° | 147.8° |
| C29 | C8 | N9 | HN9 | 156.8° | 32.2° |
| N9 | C10 | C11 | C15 | 179.9° | 179.8° |
| N9 | C10 | C11 | C12 | 179.6° | 180.0° |
| N9 | C10 | C11 | H11 | 0.4° | 0.0° |
| N9 | C10 | C15 | C14 | 179.4° | 179.7° |
| N9 | C10 | C15 | H15 | 0.6° | 0.1° |
| HN9 | N9 | C10 | C11 | 173.1° | 28.5° |
| HN9 | N9 | C10 | C15 | 7.0° | 151.3° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C10 | C15 | C14 | 0.5° | 0.5° |
| C11 | C10 | C15 | H15 | 179.5° | 179.8° |
| C15 | C10 | C11 | C12 | 0.3° | 0.2° |
| C15 | C10 | C11 | H11 | 179.7° | 179.8° |
| C10 | C15 | C14 | C13 | 0.1° | 0.5° |
| C10 | C15 | C14 | H15 | 180.0° | 179.8° |
| C10 | C15 | C14 | H14 | 179.9° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.1° |
| C11 | C12 | C13 | C16 | 179.5° | 180.0° |
| H11 | C11 | C12 | C13 | 179.8° | 179.9° |
| H11 | C11 | C12 | H12 | 0.2° | 0.1° |
| C12 | C13 | C14 | C16 | 178.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.2° |
| C12 | C13 | C14 | H14 | 179.5° | 179.9° |
| C12 | C13 | C16 | O17 | 12.6° | 0.1° |
| C12 | C13 | C16 | N18 | 167.2° | 180.0° |
| H12 | C12 | C13 | C14 | 179.4° | 179.9° |
| H12 | C12 | C13 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | H15 | 179.9° | 179.7° |
| C14 | C13 | C16 | O17 | 166.2° | 180.0° |
| C14 | C13 | C16 | N18 | 14.0° | 0.0° |
| C16 | C13 | C14 | C15 | 179.3° | 179.7° |
| C16 | C13 | C14 | H14 | 0.7° | 0.0° |
| C13 | C16 | O17 | N18 | 179.8° | 180.0° |
| C13 | C16 | N18 | C19 | 163.9° | 174.9° |
| C13 | C16 | N18 | HN18 | 16.1° | 5.1° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| O17 | C16 | N18 | C19 | 16.3° | 5.2° |
| O17 | C16 | N18 | HN18 | 163.7° | 174.9° |
| C16 | N18 | C19 | HN18 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 3.6° | 33.5° |
| C16 | N18 | C19 | C28 | 177.0° | 146.7° |
| N18 | C19 | C20 | C28 | 179.3° | 179.8° |
| N18 | C19 | C20 | C21 | 179.9° | 179.9° |
| N18 | C19 | C20 | H20 | 0.1° | 0.0° |
| N18 | C19 | C28 | C27 | 179.7° | 179.8° |
| N18 | C19 | C28 | H28 | 0.3° | 0.0° |
| HN18 | N18 | C19 | C20 | 176.4° | 146.5° |
| HN18 | N18 | C19 | C28 | 3.0° | 33.3° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.6° | 0.1° |
| C19 | C20 | C21 | H21 | 179.4° | 179.9° |
| C20 | C19 | C28 | C27 | 0.3° | 0.5° |
| C20 | C19 | C28 | H28 | 179.7° | 179.7° |
| C28 | C19 | C20 | C21 | 0.6° | 0.3° |
| C28 | C19 | C20 | H20 | 179.4° | 179.7° |
| C19 | C28 | C27 | C22 | 0.1° | 0.4° |
| C19 | C28 | C27 | C26 | 179.5° | 179.9° |
| C19 | C28 | C27 | H28 | 180.0° | 179.8° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.2° | 179.8° |
| C20 | C21 | C22 | C27 | 0.4° | 0.0° |
| H20 | C20 | C21 | C22 | 179.4° | 180.0° |
| H20 | C20 | C21 | H21 | 0.6° | 0.0° |
| C21 | C22 | C23 | C27 | 179.5° | 179.8° |
| C21 | C22 | C23 | C24 | 177.8° | 163.8° |
| C21 | C22 | C23 | H23 | 61.6° | 76.2° |
| C21 | C22 | C23 | H23A | 57.2° | 43.7° |
| C21 | C22 | C27 | C26 | 179.5° | 179.8° |
| C21 | C22 | C27 | C28 | 0.1° | 0.2° |
| H21 | C21 | C22 | C23 | 0.8° | 0.2° |
| H21 | C21 | C22 | C27 | 179.6° | 180.0° |
| C22 | C23 | C24 | H23 | 120.6° | 120.1° |
| C22 | C23 | C24 | H23A | 120.6° | 120.1° |
| C22 | C23 | H23 | H23A | 118.2° | 119.9° |
| C22 | C23 | C24 | N25 | 33.5° | 51.0° |
| C22 | C23 | C24 | H24 | 153.7° | 170.7° |
| C22 | C23 | C24 | H24A | 86.6° | 68.8° |
| C23 | C22 | C27 | C26 | 0.0° | 0.4° |
| C23 | C22 | C27 | C28 | 179.4° | 180.0° |
| C27 | C22 | C23 | C24 | 2.7° | 16.4° |
| C27 | C22 | C23 | H23 | 117.9° | 103.7° |
| C27 | C22 | C23 | H23A | 123.3° | 136.4° |
| C22 | C27 | C26 | N25 | 27.7° | 18.7° |
| C22 | C27 | C26 | C28 | 179.3° | 179.7° |
| C22 | C27 | C26 | H26 | 147.6° | 138.9° |
| C22 | C27 | C26 | H26A | 92.1° | 101.6° |
| C22 | C27 | C28 | H28 | 179.9° | 179.8° |
| C24 | C23 | H23 | H23A | 118.2° | 119.8° |
| C23 | C24 | N25 | H24 | 120.2° | 119.8° |
| C23 | C24 | N25 | H24A | 120.2° | 119.7° |
| C23 | C24 | H24 | H24A | 119.5° | 120.4° |
| C23 | C24 | N25 | C26 | 64.6° | 72.5° |
| C23 | C24 | N25 | HN25 | 55.7° | 47.4° |
| C23 | C24 | N25 | HN2A | 175.2° | 167.6° |
| H23 | C23 | C24 | N25 | 87.1° | 69.2° |
| H23 | C23 | C24 | H24 | 33.1° | 50.6° |
| H23 | C23 | C24 | H24A | 152.8° | 171.1° |
| H23A | C23 | C24 | N25 | 154.1° | 171.0° |
| H23A | C23 | C24 | H24 | 85.7° | 69.2° |
| H23A | C23 | C24 | H24A | 33.9° | 51.3° |
| N25 | C24 | H24 | H24A | 119.5° | 120.5° |
| C24 | N25 | C26 | HN25 | 120.3° | 119.8° |
| C24 | N25 | C26 | HN2A | 120.2° | 119.8° |
| C24 | N25 | HN25 | HN2A | 119.2° | 120.2° |
| C24 | N25 | C26 | C27 | 60.2° | 53.9° |
| C24 | N25 | C26 | H26 | 179.9° | 174.2° |
| C24 | N25 | C26 | H26A | 59.7° | 66.4° |
| H24 | C24 | N25 | C26 | 175.3° | 167.7° |
| H24 | C24 | N25 | HN25 | 64.5° | 72.4° |
| H24 | C24 | N25 | HN2A | 55.0° | 47.9° |
| H24A | C24 | N25 | C26 | 55.6° | 47.2° |
| H24A | C24 | N25 | HN25 | 175.9° | 167.1° |
| H24A | C24 | N25 | HN2A | 64.7° | 72.6° |
| C26 | N25 | HN25 | HN2A | 119.2° | 120.3° |
| N25 | C26 | C27 | H26 | 119.9° | 120.2° |
| N25 | C26 | C27 | H26A | 119.9° | 120.3° |
| N25 | C26 | H26 | H26A | 120.4° | 119.5° |
| N25 | C26 | C27 | C28 | 151.6° | 161.7° |
| HN25 | N25 | C26 | C27 | 60.1° | 65.9° |
| HN25 | N25 | C26 | H26 | 59.8° | 54.4° |
| HN25 | N25 | C26 | H26A | 180.0° | 173.8° |
| HN2A | N25 | C26 | C27 | 179.6° | 173.7° |
| HN2A | N25 | C26 | H26 | 59.7° | 66.0° |
| HN2A | N25 | C26 | H26A | 60.6° | 53.5° |
| C27 | C26 | H26 | H26A | 120.4° | 119.5° |
| C26 | C27 | C28 | H28 | 0.6° | 0.2° |
| H26 | C26 | C27 | C28 | 31.7° | 41.5° |
| H26A | C26 | C27 | C28 | 88.5° | 78.0° |
