9F5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | O11 | sing | 1.36Å | 1.41Å | |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.41Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.26Å | |
| O01 | C02 | sing | 1.34Å | 1.26Å | |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.51Å | 1.51Å | |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | O05 | sing | 1.43Å | 1.41Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| O05 | H6 | sing | 0.97Å | 0.95Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 119.5° | 120.1° |
| C14 | C13 | C12 | 120.7° | 119.9° |
| C14 | C13 | H1 | 119.6° | 120.0° |
| C13 | C14 | H10 | 120.2° | 119.9° |
| C14 | C15 | C16 | 119.8° | 120.1° |
| C14 | C15 | H2 | 120.1° | 119.9° |
| C15 | C14 | H10 | 120.2° | 120.0° |
| C13 | C12 | O11 | 116.0° | 120.1° |
| C13 | C12 | C17 | 119.7° | 119.9° |
| C12 | C13 | H1 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.8° | 120.1° |
| C16 | C15 | H2 | 120.1° | 120.0° |
| C15 | C16 | H11 | 119.6° | 120.0° |
| O11 | C12 | C17 | 124.3° | 120.1° |
| C12 | O11 | C10 | 120.4° | 118.0° |
| C12 | C17 | C16 | 119.5° | 119.9° |
| C12 | C17 | H3 | 120.3° | 120.0° |
| O11 | C10 | C09 | 123.3° | 120.1° |
| O11 | C10 | C18 | 116.9° | 120.0° |
| C16 | C17 | H3 | 120.2° | 120.1° |
| C17 | C16 | H11 | 119.6° | 119.9° |
| C09 | C10 | C18 | 119.8° | 119.9° |
| C10 | C09 | C08 | 120.0° | 120.0° |
| C10 | C09 | H9 | 120.0° | 120.0° |
| C10 | C18 | C06 | 120.3° | 119.9° |
| C10 | C18 | H12 | 119.8° | 120.1° |
| C09 | C08 | C07 | 120.1° | 120.0° |
| C09 | C08 | H8 | 119.9° | 120.0° |
| C08 | C09 | H9 | 120.0° | 120.0° |
| C18 | C06 | C07 | 120.1° | 120.1° |
| C18 | C06 | C04 | 119.1° | 119.9° |
| C06 | C18 | H12 | 119.9° | 120.0° |
| O03 | C02 | O01 | 119.9° | 120.0° |
| O03 | C02 | C04 | 119.9° | 120.0° |
| O01 | C02 | C04 | 120.2° | 120.0° |
| C02 | O01 | H4 | 109.5° | 117.0° |
| C08 | C07 | C06 | 119.8° | 120.1° |
| C08 | C07 | H7 | 120.1° | 119.9° |
| C07 | C08 | H8 | 120.0° | 120.0° |
| C02 | C04 | C06 | 108.9° | 109.5° |
| C02 | C04 | O05 | 109.4° | 109.5° |
| C02 | C04 | H5 | 109.2° | 109.5° |
| C07 | C06 | C04 | 120.8° | 120.0° |
| C06 | C07 | H7 | 120.1° | 119.9° |
| C06 | C04 | O05 | 109.3° | 109.5° |
| C06 | C04 | H5 | 109.3° | 109.5° |
| O05 | C04 | H5 | 110.7° | 109.4° |
| C04 | O05 | H6 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C12 | O11 | 179.3° | 179.8° |
| C14 | C13 | C12 | C17 | 0.9° | 0.3° |
| C13 | C14 | C15 | H2 | 179.8° | 179.7° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C13 | H1 | 179.8° | 179.7° |
| C14 | C15 | C16 | H11 | 179.9° | 179.7° |
| C13 | C12 | O11 | C17 | 178.4° | 179.9° |
| C13 | C12 | O11 | C10 | 162.1° | 6.2° |
| C13 | C12 | C17 | C16 | 1.1° | 0.5° |
| C13 | C12 | C17 | H3 | 178.9° | 180.0° |
| C12 | C13 | C14 | H10 | 179.8° | 180.0° |
| C15 | C16 | C17 | C12 | 0.7° | 0.5° |
| C15 | C16 | C17 | H11 | 180.0° | 179.8° |
| C15 | C16 | C17 | H3 | 179.3° | 180.0° |
| C16 | C15 | C14 | H10 | 179.8° | 180.0° |
| O11 | C12 | C17 | C16 | 179.5° | 179.5° |
| C12 | O11 | C10 | C09 | 45.0° | 112.6° |
| C12 | O11 | C10 | C18 | 137.6° | 67.7° |
| O11 | C12 | C13 | H1 | 0.7° | 0.0° |
| O11 | C12 | C17 | H3 | 0.6° | 0.0° |
| C17 | C12 | O11 | C10 | 19.5° | 173.9° |
| C12 | C17 | C16 | H3 | 180.0° | 179.5° |
| C17 | C12 | C13 | H1 | 179.2° | 179.9° |
| C12 | C17 | C16 | H11 | 179.3° | 179.4° |
| O11 | C10 | C09 | C18 | 177.4° | 179.7° |
| O11 | C10 | C09 | C08 | 178.7° | 179.8° |
| O11 | C10 | C18 | C06 | 178.9° | 179.8° |
| O11 | C10 | C09 | H9 | 1.3° | 0.3° |
| O11 | C10 | C18 | H12 | 1.1° | 0.3° |
| C17 | C16 | C15 | H2 | 179.9° | 179.9° |
| C10 | C09 | C08 | H9 | 180.0° | 180.0° |
| C09 | C10 | C18 | C06 | 1.4° | 0.0° |
| C10 | C09 | C08 | C07 | 0.6° | 0.1° |
| C10 | C09 | C08 | H8 | 179.4° | 180.0° |
| C09 | C10 | C18 | H12 | 178.6° | 180.0° |
| C18 | C10 | C09 | C08 | 1.4° | 0.1° |
| C10 | C18 | C06 | H12 | 180.0° | 180.0° |
| C10 | C18 | C06 | C07 | 0.7° | 0.1° |
| C10 | C18 | C06 | C04 | 179.5° | 180.0° |
| C18 | C10 | C09 | H9 | 178.6° | 180.0° |
| C09 | C08 | C07 | H8 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 0.1° | 0.1° |
| C09 | C08 | C07 | H7 | 179.9° | 180.0° |
| C18 | C06 | C07 | C08 | 0.1° | 0.1° |
| C18 | C06 | C04 | C02 | 79.6° | 100.0° |
| C18 | C06 | C07 | C04 | 179.9° | 179.9° |
| C18 | C06 | C04 | O05 | 39.8° | 140.0° |
| C18 | C06 | C04 | H5 | 161.1° | 20.0° |
| C18 | C06 | C07 | H7 | 179.9° | 180.0° |
| O03 | C02 | O01 | C04 | 180.0° | 179.9° |
| O03 | C02 | C04 | C06 | 55.8° | 115.0° |
| O03 | C02 | C04 | O05 | 175.2° | 5.0° |
| O03 | C02 | O01 | H4 | 0.0° | 0.1° |
| O03 | C02 | C04 | H5 | 63.5° | 124.9° |
| O01 | C02 | C04 | C06 | 124.2° | 65.1° |
| O01 | C02 | C04 | O05 | 4.8° | 174.9° |
| O01 | C02 | C04 | H5 | 116.5° | 55.0° |
| C08 | C07 | C06 | H7 | 180.0° | 179.9° |
| C08 | C07 | C06 | C04 | 179.8° | 180.0° |
| C07 | C08 | C09 | H9 | 179.4° | 180.0° |
| C02 | C04 | C06 | C07 | 100.2° | 79.9° |
| C02 | C04 | C06 | O05 | 119.5° | 120.0° |
| C02 | C04 | C06 | H5 | 119.2° | 120.1° |
| C02 | C04 | O05 | H5 | 120.4° | 120.0° |
| C04 | C02 | O01 | H4 | 180.0° | 180.0° |
| C02 | C04 | O05 | H6 | 180.0° | 60.0° |
| C07 | C06 | C04 | O05 | 140.3° | 40.1° |
| C07 | C06 | C04 | H5 | 19.0° | 160.0° |
| C06 | C07 | C08 | H8 | 179.9° | 180.0° |
| C07 | C06 | C18 | H12 | 179.3° | 180.0° |
| C06 | C04 | O05 | H5 | 120.4° | 120.0° |
| C06 | C04 | O05 | H6 | 60.8° | 60.0° |
| C04 | C06 | C07 | H7 | 0.2° | 0.1° |
| C04 | C06 | C18 | H12 | 0.6° | 0.0° |
| H1 | C13 | C14 | H10 | 0.2° | 0.2° |
| H2 | C15 | C14 | H10 | 0.2° | 0.2° |
| H2 | C15 | C16 | H11 | 0.1° | 0.1° |
| H3 | C17 | C16 | H11 | 0.7° | 0.1° |
| H5 | C04 | O05 | H6 | 59.6° | 179.9° |
| H7 | C07 | C08 | H8 | 0.1° | 0.1° |
| H8 | C08 | C09 | H9 | 0.6° | 0.0° |
