W4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| O23 | C19 | sing | 1.36Å | 1.39Å | |
| C19 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| O27 | C25 | doub | 1.21Å | 1.26Å | |
| C16 | N15 | sing | 1.40Å | 1.45Å | |
| C16 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | N15 | sing | 1.35Å | 1.32Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| O28 | C24 | doub | 1.22Å | 1.19Å | |
| N15 | C10 | sing | 1.38Å | 1.34Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | O22 | sing | 1.36Å | 1.40Å | |
| C24 | C13 | sing | 1.46Å | 1.55Å | |
| C24 | C25 | sing | 1.49Å | 1.51Å | |
| C13 | C11 | sing | 1.48Å | 1.42Å | Aromatic |
| C25 | O26 | sing | 1.35Å | 1.25Å | |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C05 | sing | 1.48Å | 1.52Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| O22 | H13 | sing | 0.97Å | 0.95Å | |
| O23 | H14 | sing | 0.97Å | 0.95Å | |
| O26 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | C16 | 119.3° | 120.1° |
| C18 | C17 | H1 | 120.3° | 120.0° |
| C17 | C18 | H12 | 119.9° | 120.0° |
| C18 | C19 | O23 | 121.6° | 120.0° |
| C18 | C19 | C20 | 120.6° | 120.0° |
| C19 | C18 | H12 | 119.9° | 120.0° |
| C17 | C16 | N15 | 126.1° | 120.0° |
| C17 | C16 | C21 | 119.2° | 120.0° |
| C16 | C17 | H1 | 120.3° | 119.9° |
| O23 | C19 | C20 | 117.8° | 120.0° |
| C19 | O23 | H14 | 109.5° | 114.1° |
| C19 | C20 | C21 | 119.1° | 120.0° |
| C19 | C20 | O22 | 120.7° | 120.0° |
| O27 | C25 | C24 | 118.0° | 120.0° |
| O27 | C25 | O26 | 122.7° | 120.0° |
| N15 | C16 | C21 | 114.7° | 120.1° |
| C16 | N15 | C14 | 123.7° | 124.6° |
| C16 | N15 | C10 | 126.7° | 124.7° |
| C16 | C21 | C20 | 121.6° | 119.9° |
| C16 | C21 | H2 | 119.2° | 120.0° |
| N15 | C14 | C13 | 110.1° | 109.6° |
| C14 | N15 | C10 | 109.4° | 110.7° |
| N15 | C14 | H11 | 124.9° | 125.2° |
| C14 | C13 | C24 | 126.3° | 126.9° |
| C14 | C13 | C11 | 105.0° | 106.2° |
| C13 | C14 | H11 | 125.0° | 125.2° |
| O28 | C24 | C13 | 123.4° | 120.0° |
| O28 | C24 | C25 | 116.6° | 120.0° |
| N15 | C10 | C11 | 109.2° | 107.7° |
| N15 | C10 | C09 | 130.7° | 132.8° |
| C21 | C20 | O22 | 120.2° | 120.0° |
| C20 | C21 | H2 | 119.2° | 120.0° |
| C20 | O22 | H13 | 109.5° | 114.0° |
| C13 | C24 | C25 | 120.0° | 120.0° |
| C24 | C13 | C11 | 128.7° | 126.9° |
| C24 | C25 | O26 | 119.3° | 120.0° |
| C13 | C11 | C10 | 106.2° | 105.9° |
| C13 | C11 | C12 | 134.2° | 133.8° |
| C25 | O26 | H15 | 109.5° | 117.0° |
| C11 | C10 | C09 | 120.0° | 119.5° |
| C10 | C11 | C12 | 119.6° | 120.3° |
| C10 | C09 | C08 | 120.3° | 120.1° |
| C10 | C09 | H9 | 119.8° | 119.9° |
| C11 | C12 | C07 | 120.1° | 119.6° |
| C11 | C12 | H10 | 120.0° | 120.3° |
| C09 | C08 | C07 | 120.0° | 120.5° |
| C09 | C08 | H8 | 120.0° | 119.7° |
| C08 | C09 | H9 | 119.8° | 119.9° |
| C12 | C07 | C08 | 120.0° | 120.0° |
| C12 | C07 | C05 | 122.6° | 120.0° |
| C07 | C12 | H10 | 120.0° | 120.2° |
| C08 | C07 | C05 | 117.3° | 120.0° |
| C07 | C08 | H8 | 120.0° | 119.8° |
| C07 | C05 | C04 | 119.9° | 120.1° |
| C07 | C05 | C06 | 119.3° | 120.2° |
| C05 | C04 | C03 | 120.2° | 119.9° |
| C04 | C05 | C06 | 120.7° | 119.7° |
| C05 | C04 | H6 | 119.9° | 120.0° |
| C04 | C03 | C02 | 119.5° | 120.1° |
| C04 | C03 | H5 | 120.3° | 120.0° |
| C03 | C04 | H6 | 119.9° | 120.0° |
| C05 | C06 | C01 | 119.0° | 119.9° |
| C05 | C06 | H7 | 120.5° | 120.0° |
| C03 | C02 | C01 | 120.4° | 120.2° |
| C03 | C02 | H4 | 119.8° | 119.9° |
| C02 | C03 | H5 | 120.2° | 119.9° |
| C06 | C01 | C02 | 120.4° | 120.1° |
| C06 | C01 | H3 | 119.8° | 120.0° |
| C01 | C06 | H7 | 120.5° | 120.0° |
| C02 | C01 | H3 | 119.8° | 119.9° |
| C01 | C02 | H4 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H12 | 180.0° | 180.0° |
| C18 | C17 | C16 | H1 | 180.0° | 179.8° |
| C17 | C18 | C19 | O23 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C18 | C17 | C16 | N15 | 180.0° | 179.7° |
| C18 | C17 | C16 | C21 | 0.3° | 0.3° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | O23 | C20 | 179.7° | 179.9° |
| C18 | C19 | C20 | C21 | 0.3° | 0.2° |
| C18 | C19 | C20 | O22 | 179.8° | 179.7° |
| C19 | C18 | C17 | H1 | 180.0° | 179.8° |
| C18 | C19 | O23 | H14 | 180.0° | 90.0° |
| C17 | C16 | N15 | C21 | 179.7° | 180.0° |
| C17 | C16 | N15 | C14 | 102.3° | 130.0° |
| C17 | C16 | N15 | C10 | 82.4° | 50.3° |
| C17 | C16 | C21 | C20 | 0.6° | 0.6° |
| C17 | C16 | C21 | H2 | 179.4° | 179.4° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| O23 | C19 | C20 | C21 | 179.3° | 179.7° |
| O23 | C19 | C20 | O22 | 0.1° | 0.2° |
| O23 | C19 | C18 | H12 | 0.3° | 0.0° |
| C19 | C20 | C21 | C16 | 0.7° | 0.5° |
| C19 | C20 | C21 | O22 | 179.5° | 179.5° |
| C19 | C20 | C21 | H2 | 179.3° | 179.5° |
| C20 | C19 | C18 | H12 | 180.0° | 179.9° |
| C19 | C20 | O22 | H13 | 180.0° | 90.5° |
| C20 | C19 | O23 | H14 | 0.3° | 89.9° |
| O27 | C25 | C24 | O28 | 94.4° | 180.0° |
| O27 | C25 | C24 | C13 | 84.9° | 0.0° |
| O27 | C25 | C24 | O26 | 180.0° | 180.0° |
| O27 | C25 | O26 | H15 | 0.0° | 0.1° |
| C16 | N15 | C14 | C10 | 176.0° | 179.7° |
| C16 | N15 | C14 | C13 | 177.0° | 180.0° |
| N15 | C16 | C21 | C20 | 179.6° | 179.5° |
| C16 | N15 | C10 | C11 | 177.2° | 179.8° |
| C16 | N15 | C10 | C09 | 3.2° | 0.0° |
| N15 | C16 | C17 | H1 | 0.0° | 0.0° |
| N15 | C16 | C21 | H2 | 0.4° | 0.5° |
| C16 | N15 | C14 | H11 | 3.0° | 0.1° |
| C21 | C16 | N15 | C14 | 77.5° | 50.0° |
| C21 | C16 | N15 | C10 | 97.9° | 129.7° |
| C16 | C21 | C20 | H2 | 180.0° | 180.0° |
| C16 | C21 | C20 | O22 | 179.9° | 180.0° |
| C21 | C16 | C17 | H1 | 179.7° | 179.9° |
| N15 | C14 | C13 | H11 | 180.0° | 179.9° |
| N15 | C14 | C13 | C24 | 178.5° | 180.0° |
| N15 | C14 | C13 | C11 | 0.2° | 0.4° |
| C14 | N15 | C10 | C11 | 1.3° | 0.0° |
| C14 | N15 | C10 | C09 | 179.1° | 179.7° |
| C14 | C13 | C24 | O28 | 26.1° | 179.5° |
| C13 | C14 | N15 | C10 | 0.9° | 0.3° |
| C14 | C13 | C24 | C11 | 178.4° | 179.6° |
| C14 | C13 | C24 | C25 | 153.2° | 0.5° |
| C14 | C13 | C11 | C10 | 0.5° | 0.3° |
| C14 | C13 | C11 | C12 | 179.6° | 179.6° |
| O28 | C24 | C13 | C25 | 179.3° | 180.0° |
| O28 | C24 | C13 | C11 | 155.5° | 0.0° |
| O28 | C24 | C25 | O26 | 85.6° | 0.0° |
| N15 | C10 | C11 | C13 | 1.1° | 0.2° |
| N15 | C10 | C11 | C09 | 179.6° | 179.8° |
| N15 | C10 | C11 | C12 | 179.6° | 179.8° |
| N15 | C10 | C09 | C08 | 179.5° | 179.7° |
| N15 | C10 | C09 | H9 | 0.5° | 0.2° |
| C10 | N15 | C14 | H11 | 179.1° | 179.8° |
| C21 | C20 | O22 | H13 | 0.6° | 89.9° |
| O22 | C20 | C21 | H2 | 0.1° | 0.1° |
| C13 | C24 | C25 | O26 | 95.1° | 179.9° |
| C24 | C13 | C11 | C10 | 179.2° | 180.0° |
| C24 | C13 | C11 | C12 | 1.7° | 0.0° |
| C24 | C13 | C14 | H11 | 1.5° | 0.0° |
| C25 | C24 | C13 | C11 | 25.2° | 180.0° |
| C24 | C25 | O26 | H15 | 180.0° | 179.9° |
| C13 | C11 | C10 | C12 | 179.3° | 179.9° |
| C13 | C11 | C10 | C09 | 179.3° | 180.0° |
| C13 | C11 | C12 | C07 | 179.9° | 180.0° |
| C13 | C11 | C12 | H10 | 0.1° | 0.0° |
| C11 | C13 | C14 | H11 | 179.8° | 179.7° |
| C11 | C10 | C09 | C08 | 0.0° | 0.0° |
| C10 | C11 | C12 | C07 | 0.9° | 0.1° |
| C11 | C10 | C09 | H9 | 179.9° | 180.0° |
| C10 | C11 | C12 | H10 | 179.1° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | C08 | H9 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.8° | 0.0° |
| C10 | C09 | C08 | H8 | 179.2° | 180.0° |
| C11 | C12 | C07 | H10 | 180.0° | 180.0° |
| C11 | C12 | C07 | C08 | 1.7° | 0.1° |
| C11 | C12 | C07 | C05 | 179.1° | 179.9° |
| C09 | C08 | C07 | C12 | 1.6° | 0.0° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C05 | 179.1° | 179.9° |
| C12 | C07 | C08 | C05 | 177.5° | 179.9° |
| C12 | C07 | C05 | C04 | 142.5° | 180.0° |
| C12 | C07 | C05 | C06 | 41.3° | 0.1° |
| C12 | C07 | C08 | H8 | 178.4° | 180.0° |
| C08 | C07 | C05 | C04 | 40.1° | 0.1° |
| C08 | C07 | C05 | C06 | 136.1° | 179.8° |
| C07 | C08 | C09 | H9 | 179.3° | 180.0° |
| C08 | C07 | C12 | H10 | 178.3° | 180.0° |
| C07 | C05 | C04 | C06 | 176.2° | 179.8° |
| C07 | C05 | C04 | C03 | 178.1° | 179.9° |
| C07 | C05 | C06 | C01 | 178.2° | 179.7° |
| C07 | C05 | C04 | H6 | 1.9° | 0.2° |
| C07 | C05 | C06 | H7 | 1.8° | 0.2° |
| C05 | C07 | C08 | H8 | 0.9° | 0.1° |
| C05 | C07 | C12 | H10 | 0.9° | 0.1° |
| C05 | C04 | C03 | H6 | 180.0° | 179.7° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C04 | C05 | C06 | C01 | 2.0° | 0.5° |
| C05 | C04 | C03 | H5 | 179.4° | 180.0° |
| C04 | C05 | C06 | H7 | 178.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.9° | 0.2° |
| C04 | C03 | C02 | H5 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.1° |
| C04 | C03 | C02 | H4 | 179.4° | 179.9° |
| C05 | C06 | C01 | H7 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.9° | 0.5° |
| C05 | C06 | C01 | H3 | 179.1° | 179.8° |
| C06 | C05 | C04 | H6 | 178.1° | 180.0° |
| C03 | C02 | C01 | C06 | 0.4° | 0.3° |
| C03 | C02 | C01 | H4 | 180.0° | 180.0° |
| C03 | C02 | C01 | H3 | 179.6° | 180.0° |
| C02 | C03 | C04 | H6 | 179.4° | 179.8° |
| C06 | C01 | C02 | H3 | 180.0° | 179.7° |
| C06 | C01 | C02 | H4 | 179.6° | 179.7° |
| C01 | C02 | C03 | H5 | 179.4° | 180.0° |
| C02 | C01 | C06 | H7 | 179.1° | 180.0° |
| H1 | C17 | C18 | H12 | 0.0° | 0.2° |
| H3 | C01 | C02 | H4 | 0.4° | 0.0° |
| H3 | C01 | C06 | H7 | 0.9° | 0.2° |
| H4 | C02 | C03 | H5 | 0.6° | 0.1° |
| H5 | C03 | C04 | H6 | 0.6° | 0.3° |
| H8 | C08 | C09 | H9 | 0.7° | 0.0° |
