9MB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C17 | sing | 1.35Å | 1.36Å | |
| O16 | C15 | sing | 1.36Å | 1.40Å | |
| C17 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| O05 | C06 | sing | 1.36Å | 1.41Å | |
| O05 | C04 | sing | 1.36Å | 1.40Å | |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | N19 | sing | 1.32Å | 1.33Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| N19 | C10 | doub | 1.33Å | 1.33Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.39Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.38Å | |
| C02 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.38Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| O16 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C17 | C15 | 118.8° | 120.1° |
| F18 | C17 | C11 | 120.3° | 120.1° |
| O16 | C15 | C17 | 118.9° | 120.0° |
| O16 | C15 | C14 | 121.0° | 120.0° |
| C15 | O16 | H11 | 109.5° | 114.0° |
| C15 | C17 | C11 | 120.8° | 119.8° |
| C17 | C15 | C14 | 120.2° | 120.0° |
| C17 | C11 | C10 | 119.3° | 120.1° |
| C17 | C11 | C12 | 119.3° | 119.7° |
| C15 | C14 | C13 | 119.3° | 120.3° |
| C15 | C14 | H10 | 120.3° | 119.8° |
| C06 | O05 | C04 | 113.1° | 118.0° |
| O05 | C06 | C07 | 118.5° | 119.6° |
| O05 | C06 | N19 | 122.0° | 119.6° |
| O05 | C04 | C03 | 116.4° | 120.0° |
| O05 | C04 | C20 | 123.8° | 120.0° |
| C06 | C07 | C08 | 120.7° | 119.3° |
| C07 | C06 | N19 | 119.5° | 120.8° |
| C06 | C07 | H5 | 119.6° | 120.3° |
| C07 | C08 | C09 | 117.8° | 118.6° |
| C08 | C07 | H5 | 119.6° | 120.3° |
| C07 | C08 | H6 | 121.1° | 120.7° |
| C06 | N19 | C10 | 121.8° | 121.5° |
| C08 | C09 | C10 | 118.9° | 119.2° |
| C09 | C08 | H6 | 121.1° | 120.7° |
| C08 | C09 | H7 | 120.6° | 120.4° |
| N19 | C10 | C09 | 121.2° | 120.6° |
| N19 | C10 | C11 | 117.9° | 119.7° |
| C09 | C10 | C11 | 120.9° | 119.7° |
| C10 | C09 | H7 | 120.5° | 120.4° |
| C10 | C11 | C12 | 121.3° | 120.1° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | H8 | 119.9° | 120.0° |
| C04 | C03 | C02 | 120.2° | 119.9° |
| C03 | C04 | C20 | 119.7° | 120.0° |
| C04 | C03 | H4 | 119.9° | 120.0° |
| C03 | C02 | O01 | 116.6° | 120.0° |
| C03 | C02 | C22 | 121.1° | 119.9° |
| C02 | C03 | H4 | 119.9° | 120.0° |
| C14 | C13 | C12 | 120.2° | 120.2° |
| C14 | C13 | H9 | 119.9° | 119.9° |
| C13 | C14 | H10 | 120.3° | 119.9° |
| C04 | C20 | C21 | 120.0° | 120.1° |
| C04 | C20 | H2 | 120.0° | 119.9° |
| O01 | C02 | C22 | 122.2° | 120.1° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C02 | C22 | C21 | 118.4° | 120.0° |
| C02 | C22 | F23 | 121.7° | 120.0° |
| C13 | C12 | H8 | 119.9° | 120.0° |
| C12 | C13 | H9 | 119.9° | 119.9° |
| C20 | C21 | C22 | 120.5° | 120.1° |
| C21 | C20 | H2 | 120.0° | 120.0° |
| C20 | C21 | H3 | 119.7° | 120.0° |
| C21 | C22 | F23 | 119.9° | 120.0° |
| C22 | C21 | H3 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C17 | C15 | O16 | 0.5° | 0.3° |
| F18 | C17 | C15 | C11 | 179.6° | 179.5° |
| F18 | C17 | C15 | C14 | 179.9° | 180.0° |
| F18 | C17 | C11 | C10 | 1.0° | 0.3° |
| F18 | C17 | C11 | C12 | 179.3° | 180.0° |
| O16 | C15 | C17 | C14 | 179.6° | 179.8° |
| O16 | C15 | C17 | C11 | 179.9° | 179.7° |
| O16 | C15 | C14 | C13 | 180.0° | 180.0° |
| O16 | C15 | C14 | H10 | 0.0° | 0.1° |
| C15 | C17 | C11 | C10 | 178.6° | 179.7° |
| C15 | C17 | C11 | C12 | 0.3° | 0.5° |
| C17 | C15 | C14 | C13 | 0.3° | 0.3° |
| C17 | C15 | C14 | H10 | 179.6° | 179.7° |
| C17 | C15 | O16 | H11 | 180.0° | 89.7° |
| C11 | C17 | C15 | C14 | 0.3° | 0.5° |
| C17 | C11 | C10 | N19 | 64.4° | 5.6° |
| C17 | C11 | C10 | C09 | 115.3° | 174.7° |
| C17 | C11 | C10 | C12 | 178.2° | 179.8° |
| C17 | C11 | C12 | C13 | 0.8° | 0.2° |
| C17 | C11 | C12 | H8 | 179.2° | 179.8° |
| C15 | C14 | C13 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H9 | 179.8° | 180.0° |
| C14 | C15 | O16 | H11 | 0.4° | 90.1° |
| O05 | C06 | C07 | N19 | 179.2° | 179.7° |
| O05 | C06 | C07 | C08 | 179.7° | 180.0° |
| O05 | C06 | N19 | C10 | 179.9° | 179.7° |
| C06 | O05 | C04 | C03 | 148.7° | 173.7° |
| C06 | O05 | C04 | C20 | 34.8° | 6.1° |
| O05 | C06 | C07 | H5 | 0.3° | 0.0° |
| C04 | O05 | C06 | C07 | 125.8° | 133.9° |
| C04 | O05 | C06 | N19 | 55.0° | 46.3° |
| O05 | C04 | C03 | C20 | 176.7° | 179.8° |
| O05 | C04 | C03 | C02 | 179.1° | 179.7° |
| O05 | C04 | C20 | C21 | 177.6° | 180.0° |
| O05 | C04 | C20 | H2 | 2.5° | 0.0° |
| O05 | C04 | C03 | H4 | 0.9° | 0.2° |
| C06 | C07 | C08 | H5 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.3° | 0.0° |
| C07 | C06 | N19 | C10 | 0.7° | 0.6° |
| C06 | C07 | C08 | H6 | 179.7° | 180.0° |
| C08 | C07 | C06 | N19 | 0.5° | 0.3° |
| C07 | C08 | C09 | H6 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.2° | 0.0° |
| C07 | C08 | C09 | H7 | 179.8° | 180.0° |
| C06 | N19 | C10 | C09 | 0.7° | 0.6° |
| C06 | N19 | C10 | C11 | 179.7° | 179.7° |
| N19 | C06 | C07 | H5 | 179.5° | 179.8° |
| C08 | C09 | C10 | N19 | 0.4° | 0.3° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 180.0° | 180.0° |
| C09 | C08 | C07 | H5 | 179.8° | 179.9° |
| N19 | C10 | C09 | C11 | 179.6° | 179.7° |
| N19 | C10 | C11 | C12 | 113.9° | 174.2° |
| N19 | C10 | C09 | H7 | 179.6° | 179.7° |
| C09 | C10 | C11 | C12 | 66.5° | 5.5° |
| C10 | C09 | C08 | H6 | 179.8° | 179.9° |
| C10 | C11 | C12 | C13 | 179.0° | 180.0° |
| C11 | C10 | C09 | H7 | 0.0° | 0.0° |
| C10 | C11 | C12 | H8 | 1.0° | 0.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | H9 | 179.2° | 180.0° |
| C04 | C03 | C02 | H4 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 179.4° | 180.0° |
| C04 | C03 | C02 | C22 | 2.6° | 0.4° |
| C03 | C04 | C20 | C21 | 1.1° | 0.2° |
| C03 | C04 | C20 | H2 | 178.9° | 179.8° |
| C02 | C03 | C04 | C20 | 2.4° | 0.1° |
| C03 | C02 | O01 | C22 | 178.0° | 179.6° |
| C03 | C02 | C22 | C21 | 1.5° | 0.4° |
| C03 | C02 | C22 | F23 | 178.9° | 179.7° |
| C03 | C02 | O01 | H1 | 180.0° | 90.3° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | H8 | 179.2° | 180.0° |
| C04 | C20 | C21 | H2 | 180.0° | 179.9° |
| C04 | C20 | C21 | C22 | 0.0° | 0.2° |
| C04 | C20 | C21 | H3 | 180.0° | 179.9° |
| C20 | C04 | C03 | H4 | 177.6° | 180.0° |
| O01 | C02 | C22 | C21 | 179.3° | 180.0° |
| O01 | C02 | C22 | F23 | 1.0° | 0.1° |
| O01 | C02 | C03 | H4 | 0.6° | 0.1° |
| C02 | C22 | C21 | C20 | 0.1° | 0.1° |
| C02 | C22 | C21 | F23 | 179.7° | 179.9° |
| C22 | C02 | O01 | H1 | 2.0° | 90.0° |
| C02 | C22 | C21 | H3 | 179.8° | 179.7° |
| C22 | C02 | C03 | H4 | 177.4° | 179.7° |
| C12 | C13 | C14 | H10 | 179.8° | 180.0° |
| C20 | C21 | C22 | H3 | 180.0° | 179.8° |
| C20 | C21 | C22 | F23 | 179.8° | 180.0° |
| C22 | C21 | C20 | H2 | 180.0° | 179.8° |
| F23 | C22 | C21 | H3 | 0.1° | 0.2° |
| H2 | C20 | C21 | H3 | 0.0° | 0.0° |
| H5 | C07 | C08 | H6 | 0.2° | 0.0° |
| H6 | C08 | C09 | H7 | 0.2° | 0.1° |
| H8 | C12 | C13 | H9 | 0.8° | 0.0° |
| H9 | C13 | C14 | H10 | 0.2° | 0.0° |
