R8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.54Å | 1.52Å | |
| C07 | C01 | sing | 1.54Å | 1.51Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C08 | O02 | doub | 1.22Å | 1.19Å | |
| C08 | C03 | sing | 1.41Å | 1.53Å | |
| C03 | C02 | doub | 1.34Å | 1.32Å | |
| C01 | O01 | sing | 1.44Å | 1.43Å | |
| C01 | N01 | sing | 1.46Å | 1.49Å | |
| C05 | C09 | sing | 1.40Å | 1.53Å | |
| C05 | C06 | doub | 1.35Å | 1.31Å | |
| C02 | O01 | sing | 1.34Å | 1.46Å | |
| N01 | C06 | sing | 1.36Å | 1.50Å | |
| N01 | C13 | sing | 1.39Å | 1.47Å | |
| N05 | C13 | doub | 1.33Å | 1.32Å | Aromatic |
| N05 | C12 | sing | 1.32Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | N04 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | N02 | sing | 1.38Å | 1.34Å | Aromatic |
| C14 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| N02 | C10 | sing | 1.35Å | 1.33Å | Aromatic |
| N04 | C11 | sing | 1.34Å | 1.33Å | Aromatic |
| C11 | N03 | sing | 1.35Å | 1.31Å | Aromatic |
| C10 | N03 | doub | 1.30Å | 1.31Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | O03 | doub | 1.22Å | 1.07Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N02 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C07 | C01 | 106.2° | 106.8° |
| C07 | C04 | C03 | 108.3° | 107.6° |
| C07 | C04 | C05 | 111.2° | 108.0° |
| C07 | C04 | H3 | 109.3° | 112.0° |
| C04 | C07 | H5 | 110.3° | 110.0° |
| C04 | C07 | H6 | 110.3° | 110.0° |
| C07 | C01 | O01 | 111.3° | 109.4° |
| C07 | C01 | N01 | 108.0° | 108.7° |
| C07 | C01 | H1 | 108.5° | 108.4° |
| C01 | C07 | H5 | 110.3° | 110.0° |
| C01 | C07 | H6 | 110.3° | 110.0° |
| C03 | C04 | C05 | 109.6° | 106.6° |
| C04 | C03 | C08 | 120.7° | 119.7° |
| C04 | C03 | C02 | 119.0° | 120.7° |
| C03 | C04 | H3 | 109.3° | 111.3° |
| C04 | C05 | C09 | 118.7° | 119.6° |
| C04 | C05 | C06 | 121.7° | 120.7° |
| C05 | C04 | H3 | 109.2° | 111.2° |
| O02 | C08 | C03 | 120.2° | 120.0° |
| O02 | C08 | H7 | 119.9° | 120.0° |
| C08 | C03 | C02 | 120.3° | 119.7° |
| C03 | C08 | H7 | 119.9° | 120.0° |
| C03 | C02 | O01 | 119.7° | 123.6° |
| C03 | C02 | H2 | 120.1° | 118.2° |
| O01 | C01 | N01 | 110.4° | 112.2° |
| C01 | O01 | C02 | 121.9° | 119.6° |
| O01 | C01 | H1 | 109.7° | 109.0° |
| C01 | N01 | C06 | 116.6° | 120.9° |
| C01 | N01 | C13 | 120.8° | 119.6° |
| N01 | C01 | H1 | 108.8° | 109.0° |
| C09 | C05 | C06 | 118.5° | 119.7° |
| C05 | C09 | O03 | 109.2° | 120.0° |
| C05 | C09 | H8 | 125.4° | 120.0° |
| C05 | C06 | N01 | 119.9° | 122.1° |
| C05 | C06 | H4 | 120.0° | 118.9° |
| O01 | C02 | H2 | 120.2° | 118.2° |
| C06 | N01 | C13 | 122.5° | 119.6° |
| N01 | C06 | H4 | 120.1° | 119.0° |
| N01 | C13 | N05 | 119.9° | 120.7° |
| N01 | C13 | C14 | 122.7° | 120.7° |
| C13 | N05 | C12 | 120.7° | 121.1° |
| N05 | C13 | C14 | 117.4° | 118.5° |
| N05 | C12 | N04 | 127.8° | 122.5° |
| N05 | C12 | H10 | 116.1° | 118.7° |
| C13 | C14 | N02 | 138.5° | 135.3° |
| C13 | C14 | C11 | 116.3° | 118.6° |
| C12 | N04 | C11 | 110.4° | 120.6° |
| N04 | C12 | H10 | 116.1° | 118.8° |
| N02 | C14 | C11 | 105.2° | 106.1° |
| C14 | N02 | C10 | 107.6° | 107.2° |
| C14 | N02 | H11 | 126.2° | 126.4° |
| C14 | C11 | N04 | 127.4° | 118.7° |
| C14 | C11 | N03 | 109.9° | 106.8° |
| N02 | C10 | N03 | 110.9° | 110.1° |
| N02 | C10 | H9 | 124.5° | 124.9° |
| C10 | N02 | H11 | 126.2° | 126.4° |
| N04 | C11 | N03 | 122.7° | 134.5° |
| C11 | N03 | C10 | 106.4° | 109.7° |
| N03 | C10 | H9 | 124.5° | 125.0° |
| H5 | C07 | H6 | 109.5° | 110.1° |
| O03 | C09 | H8 | 125.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C07 | C01 | H5 | 119.5° | 119.3° |
| C04 | C07 | C01 | H6 | 119.5° | 119.3° |
| C07 | C04 | C03 | C05 | 121.4° | 115.6° |
| C07 | C04 | C03 | H3 | 119.0° | 123.0° |
| C07 | C04 | C05 | H3 | 120.7° | 123.2° |
| C07 | C04 | C03 | C08 | 141.9° | 151.5° |
| C07 | C04 | C03 | C02 | 40.4° | 28.6° |
| C04 | C07 | C01 | O01 | 55.7° | 61.8° |
| C04 | C07 | C01 | N01 | 65.7° | 61.0° |
| C07 | C04 | C05 | C09 | 163.6° | 149.5° |
| C07 | C04 | C05 | C06 | 28.3° | 30.5° |
| C04 | C07 | C01 | H1 | 176.5° | 179.4° |
| C04 | C07 | H5 | H6 | 121.5° | 121.3° |
| C01 | C07 | C04 | C03 | 63.8° | 56.3° |
| C01 | C07 | C04 | C05 | 56.6° | 58.4° |
| C07 | C01 | O01 | N01 | 119.9° | 120.8° |
| C07 | C01 | O01 | H1 | 120.1° | 118.4° |
| C07 | C01 | N01 | H1 | 117.6° | 118.0° |
| C07 | C01 | O01 | C02 | 23.0° | 37.1° |
| C07 | C01 | N01 | C06 | 46.6° | 34.6° |
| C07 | C01 | N01 | C13 | 131.1° | 145.4° |
| C01 | C07 | C04 | H3 | 177.3° | 178.8° |
| C01 | C07 | H5 | H6 | 121.5° | 121.4° |
| C03 | C04 | C05 | H3 | 119.6° | 121.4° |
| C04 | C03 | C08 | O02 | 47.1° | 0.0° |
| C04 | C03 | C08 | C02 | 177.6° | 179.9° |
| C03 | C04 | C05 | C09 | 76.8° | 95.2° |
| C03 | C04 | C05 | C06 | 91.3° | 84.8° |
| C04 | C03 | C02 | O01 | 6.0° | 2.1° |
| C04 | C03 | C02 | H2 | 174.0° | 177.9° |
| C03 | C04 | C07 | H5 | 176.7° | 63.0° |
| C03 | C04 | C07 | H6 | 55.7° | 175.6° |
| C04 | C03 | C08 | H7 | 132.9° | 179.9° |
| C05 | C04 | C03 | C08 | 96.7° | 92.9° |
| C05 | C04 | C03 | C02 | 81.0° | 87.1° |
| C04 | C05 | C09 | C06 | 168.5° | 180.0° |
| C04 | C05 | C06 | N01 | 7.1° | 2.2° |
| C04 | C05 | C06 | H4 | 172.9° | 177.9° |
| C05 | C04 | C07 | H5 | 62.9° | 177.7° |
| C05 | C04 | C07 | H6 | 176.1° | 60.9° |
| C04 | C05 | C09 | O03 | 131.0° | 0.1° |
| C04 | C05 | C09 | H8 | 49.0° | 180.0° |
| O02 | C08 | C03 | H7 | 180.0° | 180.0° |
| O02 | C08 | C03 | C02 | 130.5° | 180.0° |
| C08 | C03 | C02 | O01 | 176.3° | 178.0° |
| C08 | C03 | C02 | H2 | 3.6° | 2.0° |
| C08 | C03 | C04 | H3 | 22.9° | 28.5° |
| C03 | C02 | O01 | C01 | 3.5° | 6.4° |
| C03 | C02 | O01 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | H3 | 159.4° | 151.5° |
| C02 | C03 | C08 | H7 | 49.5° | 0.0° |
| O01 | C01 | N01 | H1 | 120.5° | 120.8° |
| O01 | C01 | N01 | C06 | 75.3° | 86.5° |
| O01 | C01 | N01 | C13 | 107.0° | 93.4° |
| C01 | O01 | C02 | H2 | 176.5° | 173.6° |
| O01 | C01 | C07 | H5 | 175.2° | 57.5° |
| O01 | C01 | C07 | H6 | 63.8° | 178.9° |
| C01 | N01 | C06 | C05 | 16.8° | 4.2° |
| N01 | C01 | O01 | C02 | 96.9° | 83.7° |
| C01 | N01 | C06 | C13 | 177.7° | 180.0° |
| C01 | N01 | C13 | N05 | 4.6° | 173.7° |
| C01 | N01 | C13 | C14 | 174.6° | 7.1° |
| C01 | N01 | C06 | H4 | 163.2° | 175.8° |
| N01 | C01 | C07 | H5 | 53.8° | 179.7° |
| N01 | C01 | C07 | H6 | 174.8° | 58.3° |
| C09 | C05 | C06 | N01 | 175.2° | 177.9° |
| C09 | C05 | C04 | H3 | 42.9° | 26.3° |
| C09 | C05 | C06 | H4 | 4.8° | 2.1° |
| C05 | C09 | O03 | H8 | 180.0° | 179.9° |
| C05 | C06 | N01 | H4 | 180.0° | 179.9° |
| C05 | C06 | N01 | C13 | 160.9° | 175.8° |
| C06 | C05 | C04 | H3 | 149.0° | 153.8° |
| C06 | C05 | C09 | O03 | 60.5° | 180.0° |
| C06 | C05 | C09 | H8 | 119.5° | 0.1° |
| C02 | O01 | C01 | H1 | 143.1° | 155.5° |
| C06 | N01 | C13 | N05 | 177.8° | 6.3° |
| C06 | N01 | C13 | C14 | 3.0° | 172.9° |
| C06 | N01 | C01 | H1 | 164.3° | 152.6° |
| N01 | C13 | N05 | C14 | 179.2° | 179.3° |
| N01 | C13 | N05 | C12 | 179.1° | 179.8° |
| N01 | C13 | C14 | N02 | 0.6° | 0.0° |
| N01 | C13 | C14 | C11 | 179.5° | 179.8° |
| C13 | N01 | C01 | H1 | 13.5° | 27.4° |
| C13 | N01 | C06 | H4 | 19.1° | 4.1° |
| C13 | N05 | C12 | N04 | 0.7° | 0.8° |
| N05 | C13 | C14 | N02 | 179.8° | 179.2° |
| N05 | C13 | C14 | C11 | 0.2° | 0.5° |
| C13 | N05 | C12 | H10 | 179.2° | 179.3° |
| C12 | N05 | C13 | C14 | 0.2° | 1.0° |
| N05 | C12 | N04 | H10 | 180.0° | 179.9° |
| N05 | C12 | N04 | C11 | 0.8° | 0.1° |
| C13 | C14 | N02 | C11 | 179.9° | 179.8° |
| C13 | C14 | N02 | C10 | 180.0° | 180.0° |
| C13 | C14 | C11 | N04 | 0.2° | 0.1° |
| C13 | C14 | C11 | N03 | 179.7° | 179.8° |
| C13 | C14 | N02 | H11 | 0.0° | 0.0° |
| C12 | N04 | C11 | C14 | 0.3° | 0.4° |
| C12 | N04 | C11 | N03 | 179.8° | 180.0° |
| C14 | N02 | C10 | H11 | 180.0° | 180.0° |
| N02 | C14 | C11 | N04 | 179.9° | 180.0° |
| N02 | C14 | C11 | N03 | 0.2° | 0.4° |
| C14 | N02 | C10 | N03 | 0.3° | 0.0° |
| C14 | N02 | C10 | H9 | 179.8° | 179.7° |
| C11 | C14 | N02 | C10 | 0.0° | 0.2° |
| C14 | C11 | N04 | N03 | 179.9° | 179.6° |
| C14 | C11 | N03 | C10 | 0.3° | 0.4° |
| C11 | C14 | N02 | H11 | 179.9° | 179.8° |
| N02 | C10 | N03 | C11 | 0.4° | 0.3° |
| N02 | C10 | N03 | H9 | 180.0° | 179.6° |
| N04 | C11 | N03 | C10 | 179.7° | 180.0° |
| C11 | N04 | C12 | H10 | 179.2° | 180.0° |
| C11 | N03 | C10 | H9 | 179.6° | 179.9° |
| N03 | C10 | N02 | H11 | 179.7° | 180.0° |
| H1 | C01 | C07 | H5 | 64.0° | 61.3° |
| H1 | C01 | C07 | H6 | 57.0° | 60.1° |
| H3 | C04 | C07 | H5 | 57.8° | 59.5° |
| H3 | C04 | C07 | H6 | 63.3° | 61.9° |
| H9 | C10 | N02 | H11 | 0.3° | 0.4° |
