XVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| F15 | C15 | sing | 1.35Å | 1.35Å | |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| F16 | C16 | sing | 1.35Å | 1.34Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.36Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.48Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C11 | C09 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C22 | N19 | sing | 1.47Å | 1.48Å | |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| N02 | H26 | sing | 0.97Å | 1.00Å | |
| N02 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 122.2° | 120.8° |
| C07 | C04 | C05 | 118.9° | 120.7° |
| C04 | C07 | H5 | 109.5° | 109.5° |
| C04 | C07 | H6 | 109.4° | 109.5° |
| C04 | C07 | H7 | 109.5° | 109.5° |
| C03 | C04 | C05 | 118.9° | 118.5° |
| C04 | C03 | C02 | 119.8° | 119.1° |
| C04 | C03 | H3 | 120.1° | 120.4° |
| C04 | C05 | C06 | 120.7° | 119.3° |
| C04 | C05 | H4 | 119.6° | 120.3° |
| F15 | C15 | C16 | 120.2° | 120.1° |
| F15 | C15 | C14 | 120.2° | 120.0° |
| C03 | C02 | N02 | 118.9° | 119.7° |
| C03 | C02 | N01 | 119.6° | 120.5° |
| C02 | C03 | H3 | 120.1° | 120.4° |
| C05 | C06 | N01 | 119.1° | 120.9° |
| C05 | C06 | C08 | 116.8° | 119.6° |
| C06 | C05 | H4 | 119.7° | 120.3° |
| F16 | C16 | C15 | 121.8° | 120.0° |
| F16 | C16 | C11 | 118.8° | 120.1° |
| C16 | C15 | C14 | 119.6° | 119.9° |
| C15 | C16 | C11 | 119.4° | 119.9° |
| C15 | C14 | C13 | 121.3° | 120.0° |
| C15 | C14 | H2 | 119.4° | 120.0° |
| N02 | C02 | N01 | 121.5° | 119.7° |
| C02 | N02 | H26 | 109.5° | 120.0° |
| C02 | N02 | H27 | 109.5° | 120.0° |
| C02 | N01 | C06 | 121.8° | 121.6° |
| C16 | C11 | C09 | 120.1° | 120.0° |
| C16 | C11 | C12 | 118.7° | 120.0° |
| N01 | C06 | C08 | 124.1° | 119.6° |
| C06 | C08 | C09 | 108.5° | 109.5° |
| C06 | C08 | H8 | 109.7° | 109.5° |
| C06 | C08 | H9 | 109.7° | 109.5° |
| C14 | C13 | C12 | 120.6° | 120.0° |
| C14 | C13 | C17 | 121.2° | 120.0° |
| C13 | C14 | H2 | 119.4° | 120.0° |
| C08 | C09 | C11 | 117.1° | 109.5° |
| C09 | C08 | H8 | 109.7° | 109.4° |
| C09 | C08 | H9 | 109.7° | 109.5° |
| C08 | C09 | H10 | 107.6° | 109.5° |
| C08 | C09 | H11 | 107.6° | 109.4° |
| C09 | C11 | C12 | 121.1° | 120.0° |
| C11 | C09 | H10 | 107.5° | 109.5° |
| C11 | C09 | H11 | 107.5° | 109.4° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C11 | C12 | H1 | 119.8° | 120.0° |
| C12 | C13 | C17 | 118.2° | 120.0° |
| C13 | C12 | H1 | 119.7° | 119.9° |
| C13 | C17 | C18 | 106.3° | 109.5° |
| C13 | C17 | H12 | 110.3° | 109.4° |
| C13 | C17 | H13 | 110.3° | 109.5° |
| C23 | C22 | N19 | 112.9° | 109.4° |
| C23 | C22 | H21 | 108.6° | 109.5° |
| C23 | C22 | H22 | 108.6° | 109.4° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.4° |
| C17 | C18 | N19 | 113.8° | 109.5° |
| C18 | C17 | H12 | 110.2° | 109.5° |
| C18 | C17 | H13 | 110.3° | 109.5° |
| C17 | C18 | H14 | 108.3° | 109.5° |
| C17 | C18 | H15 | 108.4° | 109.4° |
| C22 | N19 | C18 | 110.6° | 111.0° |
| C22 | N19 | C20 | 111.9° | 111.0° |
| N19 | C22 | H21 | 108.6° | 109.5° |
| N19 | C22 | H22 | 108.6° | 109.5° |
| C18 | N19 | C20 | 107.7° | 111.0° |
| N19 | C18 | H14 | 108.4° | 109.5° |
| N19 | C18 | H15 | 108.4° | 109.5° |
| N19 | C20 | C21 | 111.8° | 109.5° |
| N19 | C20 | H16 | 108.9° | 109.4° |
| N19 | C20 | H17 | 108.9° | 109.4° |
| C21 | C20 | H16 | 108.9° | 109.5° |
| C21 | C20 | H17 | 108.9° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C20 | C21 | H20 | 109.5° | 109.4° |
| H5 | C07 | H6 | 109.4° | 109.4° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.4° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 109.5° |
| H18 | C21 | H19 | 109.4° | 109.5° |
| H18 | C21 | H20 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | N02 | H27 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.8° | 180.0° |
| C07 | C04 | C03 | C02 | 179.3° | 180.0° |
| C07 | C04 | C05 | C06 | 179.3° | 179.9° |
| C07 | C04 | C03 | H3 | 0.7° | 0.0° |
| C07 | C04 | C05 | H4 | 0.7° | 0.0° |
| C04 | C07 | H5 | H6 | 120.0° | 120.0° |
| C04 | C07 | H5 | H7 | 120.0° | 120.0° |
| C04 | C07 | H6 | H7 | 120.0° | 120.0° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C04 | C03 | C02 | N02 | 180.0° | 180.0° |
| C04 | C03 | C02 | N01 | 0.4° | 0.3° |
| C03 | C04 | C05 | H4 | 179.4° | 179.9° |
| C03 | C04 | C07 | H5 | 89.9° | 90.0° |
| C03 | C04 | C07 | H6 | 150.1° | 150.0° |
| C03 | C04 | C07 | H7 | 30.1° | 30.0° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C04 | C05 | C06 | N01 | 0.2° | 0.4° |
| C04 | C05 | C06 | C08 | 179.2° | 180.0° |
| C05 | C04 | C03 | H3 | 179.5° | 180.0° |
| C05 | C04 | C07 | H5 | 89.9° | 90.0° |
| C05 | C04 | C07 | H6 | 30.1° | 30.0° |
| C05 | C04 | C07 | H7 | 150.1° | 150.0° |
| F15 | C15 | C16 | F16 | 0.2° | 0.1° |
| F15 | C15 | C16 | C14 | 179.6° | 180.0° |
| F15 | C15 | C16 | C11 | 179.7° | 180.0° |
| F15 | C15 | C14 | C13 | 179.8° | 179.7° |
| F15 | C15 | C14 | H2 | 0.2° | 0.0° |
| C03 | C02 | N02 | N01 | 179.6° | 179.7° |
| C03 | C02 | N01 | C06 | 1.2° | 0.6° |
| C03 | C02 | N02 | H26 | 179.6° | 179.7° |
| C03 | C02 | N02 | H27 | 59.6° | 0.2° |
| C05 | C06 | N01 | C02 | 1.2° | 0.7° |
| C05 | C06 | N01 | C08 | 178.9° | 179.6° |
| C05 | C06 | C08 | C09 | 155.2° | 125.0° |
| C05 | C06 | C08 | H8 | 84.9° | 115.1° |
| C05 | C06 | C08 | H9 | 35.4° | 4.9° |
| F16 | C16 | C15 | C11 | 179.5° | 179.9° |
| F16 | C16 | C15 | C14 | 179.7° | 180.0° |
| F16 | C16 | C11 | C09 | 1.9° | 0.1° |
| F16 | C16 | C11 | C12 | 179.2° | 179.7° |
| C16 | C15 | C14 | C13 | 0.3° | 0.3° |
| C15 | C16 | C11 | C09 | 178.6° | 180.0° |
| C15 | C16 | C11 | C12 | 1.3° | 0.2° |
| C16 | C15 | C14 | H2 | 179.8° | 179.9° |
| C14 | C15 | C16 | C11 | 0.8° | 0.0° |
| C15 | C14 | C13 | H2 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.2° | 0.3° |
| C15 | C14 | C13 | C17 | 179.4° | 180.0° |
| N02 | C02 | N01 | C06 | 179.2° | 179.7° |
| N02 | C02 | C03 | H3 | 0.0° | 0.0° |
| C02 | N02 | H26 | H27 | 120.0° | 180.0° |
| C02 | N01 | C06 | C08 | 180.0° | 179.7° |
| N01 | C02 | C03 | H3 | 179.6° | 179.7° |
| N01 | C02 | N02 | H26 | 0.0° | 0.0° |
| N01 | C02 | N02 | H27 | 120.0° | 179.9° |
| C16 | C11 | C09 | C08 | 88.8° | 80.3° |
| C16 | C11 | C09 | C12 | 177.3° | 179.8° |
| C16 | C11 | C12 | C13 | 1.2° | 0.2° |
| C16 | C11 | C12 | H1 | 178.8° | 179.8° |
| C16 | C11 | C09 | H10 | 32.3° | 39.8° |
| C16 | C11 | C09 | H11 | 150.1° | 159.8° |
| N01 | C06 | C08 | C09 | 23.6° | 54.7° |
| N01 | C06 | C05 | H4 | 179.8° | 179.7° |
| N01 | C06 | C08 | H8 | 96.2° | 65.3° |
| N01 | C06 | C08 | H9 | 143.5° | 174.7° |
| C06 | C08 | C09 | H8 | 119.8° | 120.0° |
| C06 | C08 | C09 | H9 | 119.8° | 120.1° |
| C06 | C08 | C09 | C11 | 133.3° | 180.0° |
| C08 | C06 | C05 | H4 | 0.8° | 0.1° |
| C06 | C08 | H8 | H9 | 120.4° | 120.0° |
| C06 | C08 | C09 | H10 | 12.2° | 60.0° |
| C06 | C08 | C09 | H11 | 105.7° | 60.0° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C14 | C13 | C12 | C17 | 179.6° | 179.7° |
| C14 | C13 | C17 | C18 | 145.8° | 90.0° |
| C14 | C13 | C12 | H1 | 179.3° | 180.0° |
| C14 | C13 | C17 | H12 | 26.3° | 150.0° |
| C14 | C13 | C17 | H13 | 94.7° | 30.1° |
| C08 | C09 | C11 | H10 | 121.1° | 120.0° |
| C08 | C09 | C11 | H11 | 121.1° | 120.0° |
| C08 | C09 | C11 | C12 | 93.9° | 100.0° |
| C09 | C08 | H8 | H9 | 120.4° | 120.0° |
| C08 | C09 | H10 | H11 | 116.6° | 120.0° |
| C09 | C11 | C12 | C13 | 178.5° | 180.0° |
| C09 | C11 | C12 | H1 | 1.4° | 0.0° |
| C11 | C09 | C08 | H8 | 106.9° | 60.0° |
| C11 | C09 | C08 | H9 | 13.4° | 59.9° |
| C11 | C09 | H10 | H11 | 116.5° | 120.0° |
| C11 | C12 | C13 | H1 | 180.0° | 180.0° |
| C11 | C12 | C13 | C17 | 178.9° | 179.7° |
| C12 | C11 | C09 | H10 | 145.0° | 140.0° |
| C12 | C11 | C09 | H11 | 27.2° | 20.0° |
| C12 | C13 | C17 | C18 | 33.8° | 89.7° |
| C12 | C13 | C14 | H2 | 179.8° | 179.9° |
| C12 | C13 | C17 | H12 | 153.3° | 30.4° |
| C12 | C13 | C17 | H13 | 85.7° | 150.2° |
| C13 | C17 | C18 | H12 | 119.5° | 120.0° |
| C13 | C17 | C18 | H13 | 119.5° | 120.0° |
| C13 | C17 | C18 | N19 | 173.1° | 180.0° |
| C17 | C13 | C12 | H1 | 1.1° | 0.3° |
| C17 | C13 | C14 | H2 | 0.5° | 0.3° |
| C13 | C17 | H12 | H13 | 121.5° | 119.9° |
| C13 | C17 | C18 | H14 | 66.2° | 60.0° |
| C13 | C17 | C18 | H15 | 52.5° | 60.0° |
| C23 | C22 | N19 | H21 | 120.5° | 120.0° |
| C23 | C22 | N19 | H22 | 120.5° | 119.9° |
| C23 | C22 | N19 | C18 | 36.7° | 75.7° |
| C23 | C22 | N19 | C20 | 83.4° | 160.4° |
| C23 | C22 | H21 | H22 | 118.4° | 120.0° |
| C22 | C23 | H23 | H24 | 120.0° | 120.1° |
| C22 | C23 | H23 | H25 | 120.0° | 119.9° |
| C22 | C23 | H24 | H25 | 120.0° | 119.9° |
| C17 | C18 | N19 | C22 | 86.0° | 170.0° |
| C17 | C18 | N19 | H14 | 120.6° | 120.0° |
| C17 | C18 | N19 | H15 | 120.6° | 120.0° |
| C17 | C18 | N19 | C20 | 151.4° | 66.0° |
| C18 | C17 | H12 | H13 | 121.5° | 120.0° |
| C17 | C18 | H14 | H15 | 118.0° | 120.0° |
| C22 | N19 | C18 | C20 | 122.6° | 124.0° |
| C22 | N19 | C20 | C21 | 44.5° | 71.9° |
| C22 | N19 | C18 | H14 | 153.4° | 70.0° |
| C22 | N19 | C18 | H15 | 34.7° | 50.0° |
| C22 | N19 | C20 | H16 | 164.8° | 48.1° |
| C22 | N19 | C20 | H17 | 75.9° | 168.1° |
| N19 | C22 | H21 | H22 | 118.4° | 120.0° |
| N19 | C22 | C23 | H23 | 180.0° | 65.2° |
| N19 | C22 | C23 | H24 | 60.0° | 54.9° |
| N19 | C22 | C23 | H25 | 60.0° | 174.9° |
| C18 | N19 | C20 | C21 | 166.3° | 164.1° |
| N19 | C18 | C17 | H12 | 53.6° | 60.0° |
| N19 | C18 | C17 | H13 | 67.3° | 60.0° |
| N19 | C18 | H14 | H15 | 118.0° | 120.0° |
| C18 | N19 | C20 | H16 | 73.4° | 75.9° |
| C18 | N19 | C20 | H17 | 45.9° | 44.1° |
| C18 | N19 | C22 | H21 | 157.2° | 44.4° |
| C18 | N19 | C22 | H22 | 83.8° | 164.4° |
| N19 | C20 | C21 | H16 | 120.4° | 120.0° |
| N19 | C20 | C21 | H17 | 120.4° | 120.0° |
| C20 | N19 | C18 | H14 | 30.8° | 54.0° |
| C20 | N19 | C18 | H15 | 87.9° | 174.0° |
| N19 | C20 | H16 | H17 | 118.9° | 120.0° |
| N19 | C20 | C21 | H18 | 180.0° | 174.8° |
| N19 | C20 | C21 | H19 | 60.0° | 65.2° |
| N19 | C20 | C21 | H20 | 60.0° | 54.7° |
| C20 | N19 | C22 | H21 | 37.1° | 79.6° |
| C20 | N19 | C22 | H22 | 156.1° | 40.4° |
| C21 | C20 | H16 | H17 | 118.9° | 120.1° |
| C20 | C21 | H18 | H19 | 120.0° | 120.0° |
| C20 | C21 | H18 | H20 | 120.0° | 120.0° |
| C20 | C21 | H19 | H20 | 120.0° | 120.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | C09 | H10 | 132.0° | 60.0° |
| H8 | C08 | C09 | H11 | 14.2° | 179.9° |
| H9 | C08 | C09 | H10 | 107.7° | 180.0° |
| H9 | C08 | C09 | H11 | 134.5° | 60.0° |
| H12 | C17 | C18 | H14 | 174.3° | 180.0° |
| H12 | C17 | C18 | H15 | 67.0° | 60.0° |
| H13 | C17 | C18 | H14 | 53.3° | 60.1° |
| H13 | C17 | C18 | H15 | 172.0° | 180.0° |
| H16 | C20 | C21 | H18 | 59.6° | 65.3° |
| H16 | C20 | C21 | H19 | 179.6° | 54.7° |
| H16 | C20 | C21 | H20 | 60.3° | 174.7° |
| H17 | C20 | C21 | H18 | 59.6° | 54.8° |
| H17 | C20 | C21 | H19 | 60.4° | 174.8° |
| H17 | C20 | C21 | H20 | 179.6° | 65.3° |
| H18 | C21 | H19 | H20 | 120.0° | 120.0° |
| H21 | C22 | C23 | H23 | 59.5° | 54.8° |
| H21 | C22 | C23 | H24 | 60.5° | 174.9° |
| H21 | C22 | C23 | H25 | 179.5° | 65.1° |
| H22 | C22 | C23 | H23 | 59.5° | 174.8° |
| H22 | C22 | C23 | H24 | 179.5° | 65.1° |
| H22 | C22 | C23 | H25 | 60.5° | 54.9° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
