R4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C02 | N06 | sing | 1.35Å | 1.47Å | |
| N06 | C07 | sing | 1.36Å | 1.44Å | Aromatic |
| N06 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.46Å | 1.48Å | |
| C08 | C11 | sing | 1.48Å | 1.46Å | Aromatic |
| C09 | O10 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C03 | C04 | 109.8° | 109.5° |
| C05 | C03 | C02 | 112.2° | 109.5° |
| C05 | C03 | H3 | 108.0° | 109.5° |
| C03 | C05 | H7 | 109.5° | 109.5° |
| C03 | C05 | H8 | 109.5° | 109.5° |
| C03 | C05 | H9 | 109.5° | 109.5° |
| C04 | C03 | C02 | 110.4° | 109.5° |
| C04 | C03 | H3 | 108.1° | 109.4° |
| C03 | C04 | H4 | 109.5° | 109.5° |
| C03 | C04 | H5 | 109.5° | 109.5° |
| C03 | C04 | H6 | 109.5° | 109.4° |
| C03 | C02 | O01 | 120.5° | 120.0° |
| C03 | C02 | N06 | 121.0° | 120.0° |
| C02 | C03 | H3 | 108.1° | 109.4° |
| O01 | C02 | N06 | 118.5° | 120.0° |
| C02 | N06 | C07 | 124.6° | 124.9° |
| C02 | N06 | C16 | 128.9° | 124.9° |
| C07 | N06 | C16 | 106.5° | 110.3° |
| N06 | C07 | C08 | 109.5° | 109.7° |
| N06 | C07 | H10 | 125.3° | 125.2° |
| N06 | C16 | C15 | 128.6° | 133.1° |
| N06 | C16 | C11 | 109.6° | 107.5° |
| C07 | C08 | C09 | 124.3° | 126.7° |
| C07 | C08 | C11 | 107.1° | 106.6° |
| C08 | C07 | H10 | 125.3° | 125.2° |
| C15 | C16 | C11 | 121.9° | 119.4° |
| C16 | C15 | C14 | 119.0° | 119.9° |
| C16 | C15 | H2 | 120.5° | 120.0° |
| C16 | C11 | C08 | 107.4° | 106.0° |
| C16 | C11 | C12 | 118.2° | 120.1° |
| C09 | C08 | C11 | 128.6° | 126.7° |
| C08 | C09 | O10 | 122.6° | 120.0° |
| C08 | C09 | H11 | 118.7° | 120.0° |
| C08 | C11 | C12 | 134.4° | 133.9° |
| O10 | C09 | H11 | 118.7° | 120.0° |
| C15 | C14 | C13 | 120.2° | 120.6° |
| C14 | C15 | H2 | 120.5° | 120.1° |
| C15 | C14 | H13 | 119.9° | 119.7° |
| C11 | C12 | C13 | 120.0° | 119.7° |
| C11 | C12 | H12 | 120.0° | 120.1° |
| C14 | C13 | C12 | 120.8° | 120.3° |
| C14 | C13 | H1 | 119.6° | 119.8° |
| C13 | C14 | H13 | 119.9° | 119.7° |
| C12 | C13 | H1 | 119.6° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.2° |
| H4 | C04 | H5 | 109.4° | 109.5° |
| H4 | C04 | H6 | 109.5° | 109.5° |
| H5 | C04 | H6 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H7 | C05 | H9 | 109.4° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C03 | C04 | C02 | 124.3° | 120.1° |
| C05 | C03 | C04 | H3 | 117.6° | 120.0° |
| C05 | C03 | C02 | H3 | 119.1° | 120.0° |
| C05 | C03 | C02 | O01 | 31.4° | 30.0° |
| C05 | C03 | C02 | N06 | 149.5° | 150.0° |
| C05 | C03 | C04 | H4 | 180.0° | 60.0° |
| C05 | C03 | C04 | H5 | 60.0° | 60.0° |
| C05 | C03 | C04 | H6 | 60.0° | 180.0° |
| C03 | C05 | H7 | H8 | 120.0° | 120.1° |
| C03 | C05 | H7 | H9 | 120.0° | 120.0° |
| C03 | C05 | H8 | H9 | 120.0° | 120.0° |
| C04 | C03 | C02 | H3 | 118.1° | 119.9° |
| C04 | C03 | C02 | O01 | 91.5° | 90.0° |
| C04 | C03 | C02 | N06 | 87.7° | 89.9° |
| C03 | C04 | H4 | H5 | 120.0° | 120.0° |
| C03 | C04 | H4 | H6 | 120.0° | 120.0° |
| C03 | C04 | H5 | H6 | 120.0° | 120.0° |
| C04 | C03 | C05 | H7 | 180.0° | 180.0° |
| C04 | C03 | C05 | H8 | 60.0° | 60.0° |
| C04 | C03 | C05 | H9 | 60.0° | 60.0° |
| C03 | C02 | O01 | N06 | 179.2° | 180.0° |
| C03 | C02 | N06 | C07 | 0.7° | 0.1° |
| C03 | C02 | N06 | C16 | 179.3° | 180.0° |
| C02 | C03 | C04 | H4 | 55.8° | 60.0° |
| C02 | C03 | C04 | H5 | 175.7° | 179.9° |
| C02 | C03 | C04 | H6 | 64.3° | 59.9° |
| C02 | C03 | C05 | H7 | 56.8° | 60.0° |
| C02 | C03 | C05 | H8 | 63.2° | 180.0° |
| C02 | C03 | C05 | H9 | 176.8° | 60.1° |
| O01 | C02 | N06 | C07 | 179.8° | 179.9° |
| O01 | C02 | N06 | C16 | 0.2° | 0.1° |
| O01 | C02 | C03 | H3 | 150.4° | 150.1° |
| C02 | N06 | C07 | C16 | 180.0° | 179.9° |
| C02 | N06 | C07 | C08 | 179.9° | 179.6° |
| C02 | N06 | C16 | C15 | 0.2° | 0.0° |
| C02 | N06 | C16 | C11 | 179.9° | 179.8° |
| N06 | C02 | C03 | H3 | 30.4° | 30.0° |
| C02 | N06 | C07 | H10 | 0.1° | 0.2° |
| N06 | C07 | C08 | H10 | 180.0° | 179.5° |
| C07 | N06 | C16 | C15 | 179.8° | 179.9° |
| C07 | N06 | C16 | C11 | 0.0° | 0.3° |
| N06 | C07 | C08 | C09 | 179.9° | 180.0° |
| N06 | C07 | C08 | C11 | 0.0° | 0.5° |
| C16 | N06 | C07 | C08 | 0.1° | 0.5° |
| N06 | C16 | C15 | C11 | 179.7° | 179.8° |
| N06 | C16 | C11 | C08 | 0.0° | 0.0° |
| N06 | C16 | C15 | C14 | 179.7° | 180.0° |
| N06 | C16 | C11 | C12 | 179.9° | 179.9° |
| N06 | C16 | C15 | H2 | 0.4° | 0.1° |
| C16 | N06 | C07 | H10 | 179.9° | 179.9° |
| C07 | C08 | C11 | C16 | 0.0° | 0.3° |
| C07 | C08 | C09 | C11 | 179.8° | 179.5° |
| C07 | C08 | C09 | O10 | 135.6° | 0.0° |
| C07 | C08 | C11 | C12 | 179.9° | 179.7° |
| C07 | C08 | C09 | H11 | 44.5° | 180.0° |
| C15 | C16 | C11 | C08 | 179.8° | 179.8° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.1° | 0.2° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | H13 | 179.8° | 180.0° |
| C16 | C11 | C08 | C09 | 179.9° | 179.8° |
| C16 | C11 | C08 | C12 | 179.9° | 180.0° |
| C11 | C16 | C15 | C14 | 0.1° | 0.2° |
| C16 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C16 | C15 | H2 | 179.9° | 179.7° |
| C16 | C11 | C12 | H12 | 179.8° | 180.0° |
| C08 | C09 | O10 | H11 | 180.0° | 180.0° |
| C09 | C08 | C11 | C12 | 0.3° | 0.1° |
| C09 | C08 | C07 | H10 | 0.1° | 0.5° |
| C11 | C08 | C09 | O10 | 44.6° | 179.5° |
| C08 | C11 | C12 | C13 | 179.7° | 180.0° |
| C11 | C08 | C07 | H10 | 179.9° | 179.9° |
| C11 | C08 | C09 | H11 | 135.4° | 0.5° |
| C08 | C11 | C12 | H12 | 0.3° | 0.0° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C15 | C14 | C13 | H1 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H1 | 179.9° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C13 | C14 | C15 | H2 | 179.8° | 179.9° |
| C14 | C13 | C12 | H12 | 179.9° | 179.8° |
| C12 | C13 | C14 | H13 | 179.9° | 179.7° |
| H1 | C13 | C12 | H12 | 0.1° | 0.0° |
| H1 | C13 | C14 | H13 | 0.1° | 0.0° |
| H2 | C15 | C14 | H13 | 0.2° | 0.0° |
| H3 | C03 | C04 | H4 | 62.4° | 180.0° |
| H3 | C03 | C04 | H5 | 57.6° | 60.0° |
| H3 | C03 | C04 | H6 | 177.6° | 60.0° |
| H3 | C03 | C05 | H7 | 62.3° | 60.0° |
| H3 | C03 | C05 | H8 | 177.7° | 60.0° |
| H3 | C03 | C05 | H9 | 57.7° | 180.0° |
| H4 | C04 | H5 | H6 | 120.0° | 120.0° |
| H7 | C05 | H8 | H9 | 120.0° | 120.0° |
