1ZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F19 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| F11 | C10 | sing | 1.35Å | 1.34Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.49Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.49Å | |
| C14 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | N22 | doub | 1.33Å | 1.34Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| N22 | C02 | sing | 1.32Å | 1.31Å | Aromatic |
| C05 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.36Å | |
| C03 | O04 | sing | 1.36Å | 1.38Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| O01 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F19 | C18 | C20 | 119.5° | 119.9° |
| F19 | C18 | C17 | 120.8° | 119.8° |
| C20 | C18 | C17 | 119.7° | 120.2° |
| C18 | C20 | C21 | 122.2° | 120.1° |
| C18 | C20 | H10 | 118.9° | 119.9° |
| C18 | C17 | C16 | 118.6° | 120.1° |
| C18 | C17 | H9 | 120.7° | 120.0° |
| C20 | C21 | C15 | 118.5° | 119.9° |
| C21 | C20 | H10 | 118.9° | 119.9° |
| C20 | C21 | H11 | 120.7° | 120.1° |
| F11 | C10 | C09 | 119.5° | 119.9° |
| F11 | C10 | C12 | 120.5° | 119.9° |
| C17 | C16 | C15 | 121.5° | 119.9° |
| C17 | C16 | H8 | 119.2° | 120.0° |
| C16 | C17 | H9 | 120.7° | 119.9° |
| C21 | C15 | C16 | 119.4° | 119.8° |
| C21 | C15 | C14 | 122.3° | 120.1° |
| C15 | C21 | H11 | 120.8° | 120.1° |
| C09 | C10 | C12 | 120.0° | 120.2° |
| C10 | C09 | C08 | 120.1° | 120.1° |
| C10 | C09 | H5 | 119.9° | 120.0° |
| C10 | C12 | C13 | 120.6° | 120.1° |
| C10 | C12 | H6 | 119.7° | 119.9° |
| C09 | C08 | C07 | 119.0° | 119.9° |
| C09 | C08 | H4 | 120.5° | 120.1° |
| C08 | C09 | H5 | 120.0° | 119.9° |
| C12 | C13 | C07 | 118.5° | 120.0° |
| C13 | C12 | H6 | 119.7° | 120.0° |
| C12 | C13 | H7 | 120.7° | 120.0° |
| C16 | C15 | C14 | 118.2° | 120.1° |
| C15 | C16 | H8 | 119.2° | 120.1° |
| C15 | C14 | C06 | 124.2° | 119.7° |
| C15 | C14 | N22 | 116.1° | 119.7° |
| C08 | C07 | C13 | 121.6° | 119.7° |
| C08 | C07 | C06 | 119.1° | 120.1° |
| C07 | C08 | H4 | 120.5° | 120.0° |
| C13 | C07 | C06 | 119.2° | 120.1° |
| C07 | C13 | H7 | 120.7° | 120.0° |
| C07 | C06 | C14 | 124.0° | 120.5° |
| C07 | C06 | C05 | 115.9° | 120.4° |
| C06 | C14 | N22 | 119.6° | 120.6° |
| C14 | C06 | C05 | 120.1° | 119.0° |
| C14 | N22 | C02 | 121.3° | 121.7° |
| C06 | C05 | C03 | 117.8° | 118.4° |
| C06 | C05 | H2 | 121.1° | 120.9° |
| N22 | C02 | C03 | 121.7° | 120.9° |
| N22 | C02 | O01 | 121.9° | 119.5° |
| C05 | C03 | C02 | 119.4° | 119.4° |
| C05 | C03 | O04 | 123.2° | 120.3° |
| C03 | C05 | H2 | 121.1° | 120.8° |
| C03 | C02 | O01 | 116.3° | 119.5° |
| C02 | C03 | O04 | 117.4° | 120.3° |
| C02 | O01 | H12 | 109.5° | 114.0° |
| C03 | O04 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F19 | C18 | C20 | C17 | 179.3° | 179.7° |
| F19 | C18 | C20 | C21 | 179.8° | 180.0° |
| F19 | C18 | C17 | C16 | 179.6° | 179.7° |
| F19 | C18 | C17 | H9 | 0.4° | 0.3° |
| F19 | C18 | C20 | H10 | 0.3° | 0.2° |
| C18 | C20 | C21 | H10 | 180.0° | 179.8° |
| C20 | C18 | C17 | C16 | 0.3° | 0.0° |
| C18 | C20 | C21 | C15 | 0.4° | 0.5° |
| C20 | C18 | C17 | H9 | 179.7° | 180.0° |
| C18 | C20 | C21 | H11 | 179.6° | 180.0° |
| C17 | C18 | C20 | C21 | 0.5° | 0.3° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C17 | C18 | C20 | H10 | 179.5° | 180.0° |
| C20 | C21 | C15 | H11 | 180.0° | 179.5° |
| C20 | C21 | C15 | C16 | 0.1° | 0.6° |
| C20 | C21 | C15 | C14 | 180.0° | 179.7° |
| F11 | C10 | C09 | C12 | 179.9° | 180.0° |
| F11 | C10 | C09 | C08 | 179.8° | 180.0° |
| F11 | C10 | C12 | C13 | 179.8° | 179.8° |
| F11 | C10 | C09 | H5 | 0.2° | 0.0° |
| F11 | C10 | C12 | H6 | 0.3° | 0.0° |
| C17 | C16 | C15 | C21 | 0.0° | 0.3° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 179.8° | 180.0° |
| C21 | C15 | C16 | C14 | 179.8° | 179.7° |
| C21 | C15 | C14 | C06 | 50.7° | 35.3° |
| C21 | C15 | C14 | N22 | 131.5° | 145.0° |
| C21 | C15 | C16 | H8 | 180.0° | 179.7° |
| C15 | C21 | C20 | H10 | 179.6° | 179.7° |
| C10 | C09 | C08 | H5 | 180.0° | 179.9° |
| C09 | C10 | C12 | C13 | 0.4° | 0.2° |
| C10 | C09 | C08 | C07 | 0.7° | 0.0° |
| C10 | C09 | C08 | H4 | 179.3° | 180.0° |
| C09 | C10 | C12 | H6 | 179.6° | 180.0° |
| C12 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C12 | C13 | H6 | 180.0° | 179.8° |
| C10 | C12 | C13 | C07 | 1.6° | 0.4° |
| C12 | C10 | C09 | H5 | 179.9° | 180.0° |
| C10 | C12 | C13 | H7 | 178.4° | 180.0° |
| C09 | C08 | C07 | H4 | 180.0° | 180.0° |
| C09 | C08 | C07 | C13 | 2.0° | 0.2° |
| C09 | C08 | C07 | C06 | 178.9° | 180.0° |
| C12 | C13 | C07 | C08 | 2.4° | 0.4° |
| C12 | C13 | C07 | H7 | 180.0° | 179.6° |
| C12 | C13 | C07 | C06 | 179.3° | 179.8° |
| C16 | C15 | C14 | C06 | 129.1° | 145.0° |
| C16 | C15 | C14 | N22 | 48.7° | 34.7° |
| C15 | C16 | C17 | H9 | 179.9° | 180.0° |
| C16 | C15 | C21 | H11 | 179.9° | 180.0° |
| C15 | C14 | C06 | C07 | 1.0° | 0.0° |
| C15 | C14 | C06 | N22 | 177.7° | 179.7° |
| C15 | C14 | C06 | C05 | 178.6° | 179.9° |
| C15 | C14 | N22 | C02 | 179.8° | 179.8° |
| C14 | C15 | C16 | H8 | 0.2° | 0.0° |
| C14 | C15 | C21 | H11 | 0.1° | 0.3° |
| C08 | C07 | C13 | C06 | 176.9° | 179.8° |
| C08 | C07 | C06 | C14 | 68.7° | 130.0° |
| C08 | C07 | C06 | C05 | 110.9° | 50.0° |
| C07 | C08 | C09 | H5 | 179.3° | 180.0° |
| C08 | C07 | C13 | H7 | 177.6° | 180.0° |
| C13 | C07 | C06 | C14 | 114.3° | 50.2° |
| C13 | C07 | C06 | C05 | 66.1° | 129.8° |
| C13 | C07 | C08 | H4 | 178.0° | 179.8° |
| C07 | C13 | C12 | H6 | 178.4° | 179.8° |
| C07 | C06 | C14 | C05 | 179.6° | 180.0° |
| C07 | C06 | C14 | N22 | 178.7° | 179.7° |
| C07 | C06 | C05 | C03 | 179.5° | 180.0° |
| C07 | C06 | C05 | H2 | 0.4° | 0.1° |
| C06 | C07 | C08 | H4 | 1.1° | 0.0° |
| C06 | C07 | C13 | H7 | 0.7° | 0.2° |
| C06 | C14 | N22 | C02 | 1.9° | 0.6° |
| C14 | C06 | C05 | C03 | 0.1° | 0.0° |
| C14 | C06 | C05 | H2 | 180.0° | 179.9° |
| N22 | C14 | C06 | C05 | 0.9° | 0.3° |
| C14 | N22 | C02 | C03 | 2.0° | 0.6° |
| C14 | N22 | C02 | O01 | 179.4° | 179.7° |
| C06 | C05 | C03 | H2 | 180.0° | 180.0° |
| C06 | C05 | C03 | C02 | 0.2° | 0.0° |
| C06 | C05 | C03 | O04 | 178.4° | 180.0° |
| N22 | C02 | C03 | C05 | 1.2° | 0.3° |
| N22 | C02 | C03 | O01 | 177.5° | 179.7° |
| N22 | C02 | C03 | O04 | 177.5° | 179.7° |
| N22 | C02 | O01 | H12 | 0.0° | 90.3° |
| C05 | C03 | C02 | O04 | 178.6° | 180.0° |
| C05 | C03 | C02 | O01 | 178.6° | 180.0° |
| C05 | C03 | O04 | H1 | 180.0° | 90.0° |
| C02 | C03 | O04 | H1 | 1.4° | 90.0° |
| C02 | C03 | C05 | H2 | 179.9° | 179.9° |
| C03 | C02 | O01 | H12 | 177.5° | 90.0° |
| O01 | C02 | C03 | O04 | 0.0° | 0.0° |
| O04 | C03 | C05 | H2 | 1.6° | 0.1° |
| H4 | C08 | C09 | H5 | 0.7° | 0.1° |
| H6 | C12 | C13 | H7 | 1.6° | 0.2° |
| H8 | C16 | C17 | H9 | 0.1° | 0.0° |
| H10 | C20 | C21 | H11 | 0.3° | 0.2° |
