RCF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F06 | C05 | sing | 1.35Å | 1.37Å | |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.41Å | Aromatic |
| C05 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| N01 | C02 | trip | 1.14Å | 1.17Å | |
| C02 | C03 | sing | 1.43Å | 1.52Å | |
| C03 | C09 | doub | 1.40Å | 1.37Å | Aromatic |
| C07 | O10 | sing | 1.36Å | 1.41Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| O10 | C11 | sing | 1.36Å | 1.40Å | |
| C16 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| O21 | C19 | doub | 1.21Å | 1.26Å | |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.41Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | O20 | sing | 1.34Å | 1.27Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C18 | C22 | sing | 1.53Å | 1.53Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| O20 | H9 | sing | 0.97Å | 0.95Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F06 | C05 | C04 | 120.9° | 119.9° |
| F06 | C05 | C07 | 118.1° | 120.0° |
| C05 | C04 | C03 | 119.3° | 119.8° |
| C04 | C05 | C07 | 121.0° | 120.1° |
| C05 | C04 | H1 | 120.4° | 120.1° |
| C04 | C03 | C02 | 119.5° | 120.1° |
| C04 | C03 | C09 | 120.1° | 119.8° |
| C03 | C04 | H1 | 120.3° | 120.0° |
| C05 | C07 | O10 | 116.3° | 119.9° |
| C05 | C07 | C08 | 120.1° | 120.2° |
| N01 | C02 | C03 | 179.9° | 180.0° |
| C02 | C03 | C09 | 120.4° | 120.1° |
| C03 | C09 | C08 | 120.4° | 119.9° |
| C03 | C09 | H3 | 119.8° | 120.0° |
| O10 | C07 | C08 | 123.6° | 119.9° |
| C07 | O10 | C11 | 115.8° | 118.0° |
| C07 | C08 | C09 | 119.2° | 120.1° |
| C07 | C08 | H2 | 120.4° | 120.0° |
| O10 | C11 | C16 | 119.9° | 120.0° |
| O10 | C11 | C12 | 119.5° | 120.0° |
| C11 | C16 | C15 | 119.8° | 120.0° |
| C16 | C11 | C12 | 120.5° | 120.0° |
| C11 | C16 | H7 | 120.1° | 120.0° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C16 | C15 | H6 | 120.2° | 120.0° |
| C15 | C16 | H7 | 120.1° | 120.0° |
| C09 | C08 | H2 | 120.4° | 119.9° |
| C08 | C09 | H3 | 119.8° | 120.1° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H4 | 120.1° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C15 | C14 | O17 | 120.2° | 120.0° |
| C14 | C15 | H6 | 120.2° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C13 | C12 | H4 | 120.2° | 120.0° |
| C12 | C13 | H5 | 120.1° | 120.0° |
| O21 | C19 | C18 | 119.8° | 120.0° |
| O21 | C19 | O20 | 120.3° | 120.0° |
| C13 | C14 | O17 | 119.3° | 120.0° |
| C14 | C13 | H5 | 120.1° | 120.0° |
| C14 | O17 | C18 | 114.8° | 117.0° |
| C18 | C19 | O20 | 119.9° | 120.0° |
| C19 | C18 | O17 | 106.7° | 109.5° |
| C19 | C18 | C22 | 112.4° | 109.5° |
| C19 | C18 | H8 | 109.7° | 109.5° |
| C19 | O20 | H9 | 109.5° | 117.0° |
| O17 | C18 | C22 | 107.8° | 109.4° |
| O17 | C18 | H8 | 110.8° | 109.5° |
| C22 | C18 | H8 | 109.5° | 109.5° |
| C18 | C22 | H10 | 109.5° | 109.5° |
| C18 | C22 | H11 | 109.5° | 109.4° |
| C18 | C22 | H12 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H12 | 109.4° | 109.4° |
| H11 | C22 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F06 | C05 | C04 | C07 | 179.6° | 180.0° |
| F06 | C05 | C04 | C03 | 180.0° | 180.0° |
| F06 | C05 | C07 | O10 | 0.8° | 0.0° |
| F06 | C05 | C07 | C08 | 179.6° | 180.0° |
| F06 | C05 | C04 | H1 | 0.0° | 0.0° |
| C05 | C04 | C03 | H1 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.9° | 180.0° |
| C05 | C04 | C03 | C09 | 0.0° | 0.2° |
| C04 | C05 | C07 | O10 | 179.5° | 180.0° |
| C04 | C05 | C07 | C08 | 0.8° | 0.0° |
| C03 | C04 | C05 | C07 | 0.4° | 0.0° |
| C04 | C03 | C02 | N01 | 92.2° | 138.2° |
| C04 | C03 | C02 | C09 | 180.0° | 179.7° |
| C04 | C03 | C09 | C08 | 0.0° | 0.5° |
| C04 | C03 | C09 | H3 | 180.0° | 179.7° |
| C05 | C07 | O10 | C08 | 178.7° | 180.0° |
| C05 | C07 | O10 | C11 | 155.7° | 175.2° |
| C05 | C07 | C08 | C09 | 0.7° | 0.3° |
| C07 | C05 | C04 | H1 | 179.6° | 180.0° |
| C05 | C07 | C08 | H2 | 179.3° | 180.0° |
| N01 | C02 | C03 | C09 | 87.8° | 41.5° |
| C02 | C03 | C09 | C08 | 180.0° | 179.8° |
| C02 | C03 | C04 | H1 | 0.0° | 0.0° |
| C02 | C03 | C09 | H3 | 0.0° | 0.0° |
| C03 | C09 | C08 | C07 | 0.3° | 0.5° |
| C03 | C09 | C08 | H3 | 180.0° | 179.8° |
| C09 | C03 | C04 | H1 | 180.0° | 179.7° |
| C03 | C09 | C08 | H2 | 179.7° | 179.7° |
| C07 | O10 | C11 | C16 | 86.3° | 104.8° |
| O10 | C07 | C08 | C09 | 179.4° | 179.7° |
| C07 | O10 | C11 | C12 | 95.8° | 75.6° |
| O10 | C07 | C08 | H2 | 0.6° | 0.1° |
| C08 | C07 | O10 | C11 | 25.6° | 4.7° |
| C07 | C08 | C09 | H2 | 180.0° | 179.8° |
| C07 | C08 | C09 | H3 | 179.7° | 179.7° |
| O10 | C11 | C16 | C12 | 177.8° | 179.7° |
| O10 | C11 | C16 | C15 | 179.2° | 179.7° |
| O10 | C11 | C12 | C13 | 179.1° | 180.0° |
| O10 | C11 | C12 | H4 | 0.9° | 0.0° |
| O10 | C11 | C16 | H7 | 0.7° | 0.0° |
| C11 | C16 | C15 | H7 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.9° | 0.6° |
| C16 | C11 | C12 | C13 | 1.2° | 0.3° |
| C16 | C11 | C12 | H4 | 178.8° | 179.7° |
| C11 | C16 | C15 | H6 | 179.1° | 179.7° |
| C15 | C16 | C11 | C12 | 1.4° | 0.6° |
| C16 | C15 | C14 | H6 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.2° | 0.3° |
| C16 | C15 | C14 | O17 | 180.0° | 179.7° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C13 | H5 | 179.5° | 180.0° |
| C12 | C11 | C16 | H7 | 178.6° | 179.7° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | O17 | 179.8° | 180.0° |
| C15 | C14 | O17 | C18 | 56.1° | 6.2° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | H7 | 179.1° | 179.7° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | O17 | 179.8° | 180.0° |
| O21 | C19 | C18 | O20 | 179.7° | 180.0° |
| O21 | C19 | C18 | O17 | 55.5° | 4.9° |
| O21 | C19 | C18 | C22 | 173.4° | 115.0° |
| O21 | C19 | C18 | H8 | 64.6° | 125.0° |
| O21 | C19 | O20 | H9 | 0.0° | 0.1° |
| C13 | C14 | O17 | C18 | 124.1° | 173.8° |
| C14 | C13 | C12 | H4 | 179.5° | 180.0° |
| C13 | C14 | C15 | H6 | 179.8° | 179.9° |
| C14 | O17 | C18 | C19 | 117.7° | 146.2° |
| C14 | O17 | C18 | C22 | 121.4° | 93.8° |
| O17 | C14 | C13 | H5 | 0.2° | 0.0° |
| O17 | C14 | C15 | H6 | 0.0° | 0.0° |
| C14 | O17 | C18 | H8 | 1.6° | 26.2° |
| C19 | C18 | O17 | C22 | 120.9° | 120.0° |
| C19 | C18 | O17 | H8 | 119.3° | 120.1° |
| C19 | C18 | C22 | H8 | 122.1° | 120.0° |
| C18 | C19 | O20 | H9 | 179.7° | 180.0° |
| C19 | C18 | C22 | H10 | 180.0° | 180.0° |
| C19 | C18 | C22 | H11 | 60.0° | 60.0° |
| C19 | C18 | C22 | H12 | 60.0° | 59.9° |
| O20 | C19 | C18 | O17 | 124.2° | 175.0° |
| O20 | C19 | C18 | C22 | 6.3° | 65.0° |
| O20 | C19 | C18 | H8 | 115.7° | 55.0° |
| O17 | C18 | C22 | H8 | 120.6° | 120.0° |
| O17 | C18 | C22 | H10 | 62.8° | 60.0° |
| O17 | C18 | C22 | H11 | 177.2° | 180.0° |
| O17 | C18 | C22 | H12 | 57.2° | 60.0° |
| C18 | C22 | H10 | H11 | 120.0° | 120.0° |
| C18 | C22 | H10 | H12 | 120.0° | 120.1° |
| C18 | C22 | H11 | H12 | 120.0° | 120.0° |
| H2 | C08 | C09 | H3 | 0.3° | 0.0° |
| H4 | C12 | C13 | H5 | 0.5° | 0.0° |
| H6 | C15 | C16 | H7 | 0.9° | 0.0° |
| H8 | C18 | C22 | H10 | 57.9° | 60.0° |
| H8 | C18 | C22 | H11 | 62.2° | 60.0° |
| H8 | C18 | C22 | H12 | 177.8° | 180.0° |
| H10 | C22 | H11 | H12 | 120.0° | 119.9° |
