GW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C20 | C3 | sing | 1.47Å | 1.40Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.36Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C1 | H13A | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.48Å | 1.40Å | |
| C4 | C11 | sing | 1.48Å | 1.40Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C18 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.37Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.47Å | 1.39Å | |
| C15 | C16 | doub | 1.35Å | 1.39Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.46Å | 1.39Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | O2 | sing | 1.35Å | 1.23Å | |
| C17 | O1 | doub | 1.22Å | 1.22Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 120.1° | 119.8° |
| C22 | C21 | H21 | 119.8° | 120.1° |
| C21 | C22 | C23 | 119.8° | 120.2° |
| C21 | C22 | H22 | 120.1° | 119.9° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C21 | C20 | C25 | 119.1° | 119.7° |
| C21 | C20 | C3 | 121.3° | 120.2° |
| C23 | C22 | H22 | 120.2° | 119.9° |
| C22 | C23 | C24 | 120.8° | 120.3° |
| C22 | C23 | H23 | 119.9° | 119.8° |
| C24 | C23 | H23 | 119.3° | 119.8° |
| C23 | C24 | C25 | 119.2° | 120.2° |
| C23 | C24 | H24 | 120.4° | 119.9° |
| C25 | C24 | H24 | 120.4° | 119.9° |
| C24 | C25 | C20 | 121.0° | 119.8° |
| C24 | C25 | H25 | 118.9° | 120.1° |
| C20 | C25 | H25 | 120.0° | 120.1° |
| C25 | C20 | C3 | 119.6° | 120.2° |
| C20 | C3 | C2 | 120.4° | 120.0° |
| C20 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.0° |
| C3 | C2 | C1 | 112.8° | 109.4° |
| C3 | C2 | H21A | 111.0° | 109.5° |
| C3 | C2 | H22A | 111.0° | 109.5° |
| C3 | C4 | C5 | 117.0° | 120.0° |
| C3 | C4 | C11 | 124.4° | 120.0° |
| C1 | C2 | H21A | 111.0° | 109.5° |
| C1 | C2 | H22A | 111.0° | 109.4° |
| C2 | C1 | H11 | 111.0° | 109.5° |
| C2 | C1 | H12A | 112.8° | 109.5° |
| C2 | C1 | H13A | 111.0° | 109.4° |
| H21A | C2 | H22A | 99.3° | 109.5° |
| H11 | C1 | H12A | 111.0° | 109.5° |
| H11 | C1 | H13A | 99.3° | 109.5° |
| H12A | C1 | H13A | 111.0° | 109.5° |
| C5 | C4 | C11 | 118.6° | 120.0° |
| C4 | C5 | C6 | 122.1° | 120.2° |
| C4 | C5 | C10 | 120.4° | 120.1° |
| C4 | C11 | C19 | 122.0° | 120.0° |
| C4 | C11 | C12 | 119.5° | 119.9° |
| C6 | C5 | C10 | 117.5° | 119.7° |
| C5 | C6 | C7 | 121.5° | 119.9° |
| C5 | C6 | H6 | 119.2° | 120.1° |
| C5 | C10 | C9 | 121.5° | 119.8° |
| C5 | C10 | H10 | 119.4° | 120.1° |
| C7 | C6 | H6 | 119.3° | 120.1° |
| C6 | C7 | C8 | 120.1° | 120.1° |
| C6 | C7 | H7 | 120.2° | 119.9° |
| C8 | C7 | H7 | 119.7° | 119.9° |
| C7 | C8 | C9 | 119.4° | 120.3° |
| C7 | C8 | H8 | 120.2° | 119.8° |
| C9 | C8 | H8 | 120.4° | 119.8° |
| C8 | C9 | C10 | 120.1° | 120.1° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C10 | C9 | H9 | 120.1° | 119.9° |
| C9 | C10 | H10 | 119.2° | 120.1° |
| C19 | C11 | C12 | 118.4° | 120.1° |
| C11 | C19 | C18 | 121.4° | 120.0° |
| C11 | C19 | H19 | 119.2° | 120.0° |
| C11 | C12 | C13 | 120.3° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C19 | C18 | C14 | 119.5° | 120.0° |
| C19 | C18 | H18 | 120.4° | 120.0° |
| C14 | C18 | H18 | 120.1° | 120.0° |
| C18 | C14 | C13 | 119.1° | 119.9° |
| C18 | C14 | C15 | 122.7° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | C14 | 121.2° | 120.0° |
| C12 | C13 | H13 | 119.4° | 120.0° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C13 | C14 | C15 | 118.2° | 120.1° |
| C14 | C15 | C16 | 122.3° | 119.9° |
| C14 | C15 | H15 | 118.8° | 120.0° |
| C16 | C15 | H15 | 118.9° | 120.0° |
| C15 | C16 | C17 | 121.7° | 120.0° |
| C15 | C16 | H16 | 118.9° | 120.0° |
| C17 | C16 | H16 | 119.4° | 120.0° |
| C16 | C17 | O2 | 121.3° | 120.0° |
| C16 | C17 | O1 | 120.4° | 120.0° |
| O2 | C17 | O1 | 118.2° | 120.0° |
| C17 | O2 | HO2 | 121.3° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H21 | 180.0° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.4° | 0.1° |
| C21 | C22 | C23 | H23 | 179.6° | 179.9° |
| C22 | C21 | C20 | C25 | 1.1° | 0.0° |
| C22 | C21 | C20 | C3 | 179.3° | 180.0° |
| C20 | C21 | C22 | C23 | 0.4° | 0.1° |
| C20 | C21 | C22 | H22 | 179.6° | 180.0° |
| C21 | C20 | C25 | C24 | 1.2° | 0.1° |
| C21 | C20 | C25 | C3 | 178.2° | 180.0° |
| C21 | C20 | C25 | H25 | 178.9° | 180.0° |
| C21 | C20 | C3 | C2 | 65.9° | 65.0° |
| C21 | C20 | C3 | C4 | 116.5° | 115.0° |
| H21 | C21 | C22 | C23 | 179.7° | 179.6° |
| H21 | C21 | C22 | H22 | 0.4° | 0.3° |
| H21 | C21 | C20 | C25 | 178.9° | 179.7° |
| H21 | C21 | C20 | C3 | 0.7° | 0.3° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.4° | 0.0° |
| C22 | C23 | C24 | H24 | 179.7° | 179.9° |
| H22 | C22 | C23 | C24 | 179.6° | 180.0° |
| H22 | C22 | C23 | H23 | 0.4° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 0.4° | 0.1° |
| C23 | C24 | C25 | H25 | 179.6° | 179.9° |
| H23 | C23 | C24 | C25 | 179.7° | 179.9° |
| H23 | C23 | C24 | H24 | 0.3° | 0.1° |
| C24 | C25 | C20 | H25 | 180.0° | 179.9° |
| C24 | C25 | C20 | C3 | 179.4° | 179.9° |
| H24 | C24 | C25 | C20 | 179.6° | 180.0° |
| H24 | C24 | C25 | H25 | 0.4° | 0.1° |
| C25 | C20 | C3 | C2 | 112.3° | 115.0° |
| C25 | C20 | C3 | C4 | 65.3° | 64.9° |
| H25 | C25 | C20 | C3 | 0.6° | 0.0° |
| C20 | C3 | C2 | C4 | 177.7° | 179.9° |
| C20 | C3 | C2 | C1 | 10.1° | 86.1° |
| C20 | C3 | C2 | H21A | 135.4° | 153.9° |
| C20 | C3 | C2 | H22A | 115.2° | 33.8° |
| C20 | C3 | C4 | C5 | 178.8° | 174.1° |
| C20 | C3 | C4 | C11 | 2.8° | 5.9° |
| C3 | C2 | C1 | H21A | 125.3° | 120.0° |
| C3 | C2 | C1 | H22A | 125.3° | 120.0° |
| C3 | C2 | H21A | H22A | 116.8° | 120.0° |
| C3 | C2 | C1 | H11 | 54.7° | 176.3° |
| C3 | C2 | C1 | H12A | 180.0° | 63.7° |
| C3 | C2 | C1 | H13A | 54.7° | 56.3° |
| C2 | C3 | C4 | C5 | 1.2° | 5.8° |
| C2 | C3 | C4 | C11 | 179.5° | 174.1° |
| C4 | C3 | C2 | C1 | 172.3° | 93.9° |
| C4 | C3 | C2 | H21A | 47.0° | 26.0° |
| C4 | C3 | C2 | H22A | 62.5° | 146.1° |
| C3 | C4 | C5 | C11 | 178.4° | 180.0° |
| C3 | C4 | C5 | C6 | 137.6° | 112.7° |
| C3 | C4 | C5 | C10 | 42.8° | 67.5° |
| C3 | C4 | C11 | C19 | 126.0° | 115.0° |
| C3 | C4 | C11 | C12 | 56.7° | 65.3° |
| C1 | C2 | H21A | H22A | 116.9° | 120.0° |
| C2 | C1 | H11 | H12A | 126.3° | 120.0° |
| C2 | C1 | H11 | H13A | 116.9° | 120.0° |
| C2 | C1 | H12A | H13A | 125.3° | 120.0° |
| H21A | C2 | C1 | H11 | 180.0° | 56.3° |
| H21A | C2 | C1 | H12A | 54.7° | 176.3° |
| H21A | C2 | C1 | H13A | 70.5° | 63.7° |
| H22A | C2 | C1 | H11 | 70.5° | 63.7° |
| H22A | C2 | C1 | H12A | 54.8° | 56.3° |
| H22A | C2 | C1 | H13A | 180.0° | 176.3° |
| H11 | C1 | H12A | H13A | 109.5° | 120.0° |
| C4 | C5 | C6 | C10 | 179.6° | 179.8° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 0.2° | 0.1° |
| C4 | C5 | C10 | C9 | 179.8° | 179.7° |
| C4 | C5 | C10 | H10 | 0.2° | 0.0° |
| C5 | C4 | C11 | C19 | 55.7° | 65.0° |
| C5 | C4 | C11 | C12 | 121.6° | 114.7° |
| C11 | C4 | C5 | C6 | 40.8° | 67.3° |
| C11 | C4 | C5 | C10 | 138.8° | 112.5° |
| C4 | C11 | C19 | C12 | 177.3° | 179.7° |
| C4 | C11 | C19 | C18 | 178.9° | 180.0° |
| C4 | C11 | C19 | H19 | 1.1° | 0.1° |
| C4 | C11 | C12 | C13 | 178.5° | 180.0° |
| C4 | C11 | C12 | H12 | 1.5° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C10 | C9 | 0.2° | 0.6° |
| C6 | C5 | C10 | H10 | 179.8° | 179.8° |
| C10 | C5 | C6 | C7 | 0.2° | 0.2° |
| C10 | C5 | C6 | H6 | 179.8° | 179.7° |
| C5 | C10 | C9 | C8 | 0.2° | 0.6° |
| C5 | C10 | C9 | H10 | 180.0° | 179.6° |
| C5 | C10 | C9 | H9 | 179.8° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 179.9° |
| H6 | C6 | C7 | C8 | 179.8° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | H10 | 179.8° | 179.8° |
| H8 | C8 | C9 | C10 | 179.9° | 179.7° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| H9 | C9 | C10 | H10 | 0.2° | 0.0° |
| C11 | C19 | C18 | H19 | 180.0° | 179.9° |
| C11 | C19 | C18 | C14 | 1.1° | 0.1° |
| C11 | C19 | C18 | H18 | 178.9° | 179.9° |
| C19 | C11 | C12 | C13 | 1.1° | 0.3° |
| C19 | C11 | C12 | H12 | 178.9° | 179.7° |
| C12 | C11 | C19 | C18 | 1.5° | 0.3° |
| C12 | C11 | C19 | H19 | 178.5° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C19 | C18 | C14 | H18 | 180.0° | 180.0° |
| C19 | C18 | C14 | C13 | 0.2° | 0.2° |
| C19 | C18 | C14 | C15 | 179.6° | 180.0° |
| H19 | C19 | C18 | C14 | 178.9° | 180.0° |
| H19 | C19 | C18 | H18 | 1.1° | 0.0° |
| C18 | C14 | C13 | C12 | 0.2° | 0.2° |
| C18 | C14 | C13 | C15 | 179.9° | 179.8° |
| C18 | C14 | C13 | H13 | 179.8° | 179.7° |
| C18 | C14 | C15 | C16 | 34.2° | 180.0° |
| C18 | C14 | C15 | H15 | 145.9° | 0.0° |
| H18 | C18 | C14 | C13 | 179.8° | 179.8° |
| H18 | C18 | C14 | C15 | 0.4° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.7° | 180.0° |
| H12 | C12 | C13 | H13 | 0.3° | 0.1° |
| C13 | C14 | C15 | C16 | 145.7° | 0.2° |
| C13 | C14 | C15 | H15 | 34.3° | 179.8° |
| H13 | C13 | C14 | C15 | 0.0° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.3° | 180.0° |
| C14 | C15 | C16 | H16 | 0.7° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | O2 | 179.6° | 180.0° |
| C15 | C16 | C17 | O1 | 0.2° | 0.0° |
| H15 | C15 | C16 | C17 | 0.7° | 0.0° |
| H15 | C15 | C16 | H16 | 179.3° | 180.0° |
| C16 | C17 | O2 | O1 | 179.5° | 180.0° |
| C16 | C17 | O2 | HO2 | 180.0° | 179.9° |
| H16 | C16 | C17 | O2 | 0.4° | 0.0° |
| H16 | C16 | C17 | O1 | 179.9° | 180.0° |
| O1 | C17 | O2 | HO2 | 0.5° | 0.0° |
