YVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.62Å | Aromatic |
| C08 | C07 | doub | 1.33Å | 1.43Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.45Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| S09 | C05 | sing | 1.76Å | 1.62Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| F22 | C19 | sing | 1.40Å | 1.36Å | |
| N15 | C26 | sing | 1.36Å | 1.31Å | Aromatic |
| N15 | N14 | sing | 1.28Å | 1.36Å | Aromatic |
| C26 | C28 | doub | 1.35Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.53Å | Aromatic |
| F21 | C19 | sing | 1.40Å | 1.36Å | |
| C19 | F20 | sing | 1.40Å | 1.36Å | |
| N14 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C13 | sing | 1.42Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.48Å | 1.52Å | |
| N11 | C12 | sing | 1.35Å | 1.45Å | |
| N11 | C04 | sing | 1.47Å | 1.44Å | |
| C12 | O29 | doub | 1.22Å | 1.18Å | |
| C10 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| C03 | O02 | sing | 1.34Å | 1.40Å | |
| C03 | O30 | doub | 1.21Å | 1.18Å | |
| O02 | C01 | sing | 1.45Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.2° | 120.1° |
| C24 | C25 | C16 | 119.6° | 119.9° |
| C25 | C24 | H12 | 119.9° | 119.9° |
| C24 | C25 | H13 | 120.2° | 120.1° |
| C24 | C23 | C18 | 119.7° | 120.1° |
| C24 | C23 | H11 | 120.1° | 119.9° |
| C23 | C24 | H12 | 119.9° | 120.0° |
| C25 | C16 | N15 | 121.7° | 120.1° |
| C25 | C16 | C17 | 120.3° | 119.8° |
| C16 | C25 | H13 | 120.2° | 120.0° |
| C23 | C18 | C17 | 120.2° | 120.1° |
| C23 | C18 | C19 | 120.3° | 119.9° |
| C18 | C23 | H11 | 120.1° | 120.0° |
| S09 | C08 | C07 | 109.1° | 109.6° |
| C08 | S09 | C05 | 101.4° | 90.9° |
| S09 | C08 | H6 | 125.4° | 125.2° |
| C08 | C07 | C06 | 110.2° | 114.9° |
| C08 | C07 | H5 | 124.9° | 122.5° |
| C07 | C08 | H6 | 125.4° | 125.2° |
| N15 | C16 | C17 | 118.0° | 120.1° |
| C16 | N15 | C26 | 128.6° | 124.9° |
| C16 | N15 | N14 | 120.8° | 125.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H10 | 120.0° | 120.0° |
| S09 | C05 | C06 | 109.5° | 109.6° |
| S09 | C05 | C04 | 124.0° | 125.2° |
| C17 | C18 | C19 | 119.5° | 120.0° |
| C18 | C17 | H10 | 120.0° | 120.0° |
| C18 | C19 | F22 | 109.3° | 109.4° |
| C18 | C19 | F21 | 109.4° | 109.5° |
| C18 | C19 | F20 | 109.0° | 109.4° |
| C27 | C26 | N15 | 127.1° | 126.5° |
| C27 | C26 | C28 | 125.6° | 126.4° |
| C26 | C27 | H14 | 109.5° | 109.5° |
| C26 | C27 | H15 | 109.5° | 109.5° |
| C26 | C27 | H16 | 109.4° | 109.5° |
| F22 | C19 | F21 | 109.8° | 109.5° |
| F22 | C19 | F20 | 109.4° | 109.5° |
| C26 | N15 | N14 | 110.6° | 110.1° |
| N15 | C26 | C28 | 107.3° | 107.1° |
| N15 | N14 | C13 | 107.5° | 110.1° |
| C26 | C28 | C13 | 106.7° | 105.6° |
| C26 | C28 | H17 | 126.7° | 127.2° |
| C07 | C06 | C05 | 109.7° | 114.9° |
| C07 | C06 | H4 | 125.2° | 122.5° |
| C06 | C07 | H5 | 124.9° | 122.6° |
| F21 | C19 | F20 | 109.9° | 109.5° |
| N14 | C13 | C28 | 107.9° | 107.1° |
| N14 | C13 | C12 | 122.4° | 126.5° |
| C28 | C13 | C12 | 129.6° | 126.4° |
| C13 | C28 | H17 | 126.7° | 127.3° |
| C06 | C05 | C04 | 126.5° | 125.2° |
| C05 | C06 | H4 | 125.2° | 122.5° |
| C05 | C04 | N11 | 106.1° | 109.5° |
| C05 | C04 | C10 | 109.1° | 109.5° |
| C05 | C04 | C03 | 111.8° | 109.4° |
| C13 | C12 | N11 | 115.0° | 120.0° |
| C13 | C12 | O29 | 121.5° | 120.0° |
| C12 | N11 | C04 | 125.5° | 120.0° |
| N11 | C12 | O29 | 123.4° | 120.0° |
| C12 | N11 | H18 | 117.2° | 120.0° |
| N11 | C04 | C10 | 111.1° | 109.5° |
| N11 | C04 | C03 | 108.5° | 109.5° |
| C04 | N11 | H18 | 117.2° | 120.0° |
| C10 | C04 | C03 | 110.2° | 109.5° |
| C04 | C10 | H7 | 109.5° | 109.4° |
| C04 | C10 | H8 | 109.5° | 109.5° |
| C04 | C10 | H9 | 109.5° | 109.4° |
| C04 | C03 | O02 | 119.7° | 120.0° |
| C04 | C03 | O30 | 120.1° | 120.0° |
| O02 | C03 | O30 | 120.1° | 120.0° |
| C03 | O02 | C01 | 114.0° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.4° | 109.5° |
| O02 | C01 | H3 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H14 | C27 | H16 | 109.4° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H12 | 180.0° | 179.4° |
| C24 | C25 | C16 | H13 | 180.0° | 179.4° |
| C25 | C24 | C23 | C18 | 0.0° | 0.4° |
| C24 | C25 | C16 | N15 | 179.5° | 179.7° |
| C24 | C25 | C16 | C17 | 1.1° | 0.6° |
| C25 | C24 | C23 | H11 | 180.0° | 179.7° |
| C23 | C24 | C25 | C16 | 0.7° | 0.7° |
| C24 | C23 | C18 | H11 | 180.0° | 179.9° |
| C24 | C23 | C18 | C17 | 0.3° | 0.0° |
| C24 | C23 | C18 | C19 | 180.0° | 179.9° |
| C23 | C24 | C25 | H13 | 179.3° | 180.0° |
| C25 | C16 | N15 | C17 | 178.5° | 179.6° |
| C25 | C16 | C17 | C18 | 0.8° | 0.3° |
| C25 | C16 | N15 | C26 | 62.4° | 138.0° |
| C25 | C16 | N15 | N14 | 117.9° | 42.0° |
| C25 | C16 | C17 | H10 | 179.2° | 179.8° |
| C16 | C25 | C24 | H12 | 179.4° | 180.0° |
| C23 | C18 | C17 | C16 | 0.1° | 0.0° |
| C23 | C18 | C17 | C19 | 179.8° | 180.0° |
| C23 | C18 | C19 | F22 | 58.7° | 150.0° |
| C23 | C18 | C19 | F21 | 61.6° | 30.0° |
| C23 | C18 | C19 | F20 | 178.3° | 90.0° |
| C23 | C18 | C17 | H10 | 179.9° | 179.9° |
| C18 | C23 | C24 | H12 | 180.0° | 179.8° |
| S09 | C08 | C07 | H6 | 180.0° | 179.7° |
| S09 | C08 | C07 | C06 | 0.3° | 0.3° |
| C08 | S09 | C05 | C06 | 0.2° | 0.4° |
| C08 | S09 | C05 | C04 | 179.6° | 180.0° |
| S09 | C08 | C07 | H5 | 179.7° | 179.8° |
| C07 | C08 | S09 | C05 | 0.3° | 0.4° |
| C08 | C07 | C06 | H5 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C08 | C07 | C06 | H4 | 179.8° | 180.0° |
| N15 | C16 | C17 | C18 | 179.3° | 179.9° |
| C16 | N15 | C26 | C27 | 0.3° | 0.2° |
| C16 | N15 | C26 | N14 | 179.7° | 180.0° |
| C16 | N15 | C26 | C28 | 179.8° | 180.0° |
| C16 | N15 | N14 | C13 | 179.6° | 179.8° |
| N15 | C16 | C17 | H10 | 0.7° | 0.1° |
| N15 | C16 | C25 | H13 | 0.5° | 0.4° |
| C16 | C17 | C18 | H10 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C17 | C16 | N15 | C26 | 119.1° | 42.4° |
| C17 | C16 | N15 | N14 | 60.6° | 137.6° |
| C17 | C16 | C25 | H13 | 178.9° | 180.0° |
| S09 | C05 | C06 | C07 | 0.0° | 0.3° |
| S09 | C05 | C06 | C04 | 179.8° | 179.7° |
| S09 | C05 | C04 | N11 | 39.4° | 0.3° |
| S09 | C05 | C04 | C10 | 80.3° | 119.6° |
| S09 | C05 | C04 | C03 | 157.5° | 120.3° |
| S09 | C05 | C06 | H4 | 180.0° | 179.8° |
| C05 | S09 | C08 | H6 | 179.7° | 179.9° |
| C17 | C18 | C19 | F22 | 121.6° | 30.0° |
| C17 | C18 | C19 | F21 | 118.2° | 150.0° |
| C17 | C18 | C19 | F20 | 2.0° | 90.0° |
| C17 | C18 | C23 | H11 | 179.7° | 180.0° |
| C18 | C19 | F22 | F21 | 120.0° | 120.0° |
| C18 | C19 | F22 | F20 | 119.3° | 119.9° |
| C18 | C19 | F21 | F20 | 119.6° | 120.0° |
| C19 | C18 | C17 | H10 | 0.4° | 0.0° |
| C19 | C18 | C23 | H11 | 0.1° | 0.0° |
| C27 | C26 | N15 | C28 | 179.9° | 179.8° |
| C27 | C26 | N15 | N14 | 180.0° | 179.8° |
| C27 | C26 | C28 | C13 | 179.8° | 180.0° |
| C26 | C27 | H14 | H15 | 120.0° | 120.0° |
| C26 | C27 | H14 | H16 | 120.0° | 120.0° |
| C26 | C27 | H15 | H16 | 120.0° | 120.0° |
| C27 | C26 | C28 | H17 | 0.2° | 0.1° |
| F22 | C19 | F21 | F20 | 120.4° | 120.0° |
| C26 | N15 | N14 | C13 | 0.1° | 0.2° |
| N15 | C26 | C28 | C13 | 0.3° | 0.2° |
| N15 | C26 | C27 | H14 | 89.9° | 84.6° |
| N15 | C26 | C27 | H15 | 150.0° | 35.4° |
| N15 | C26 | C27 | H16 | 30.0° | 155.4° |
| N15 | C26 | C28 | H17 | 179.7° | 179.9° |
| N14 | N15 | C26 | C28 | 0.1° | 0.0° |
| N15 | N14 | C13 | C28 | 0.3° | 0.3° |
| N15 | N14 | C13 | C12 | 179.7° | 180.0° |
| C26 | C28 | C13 | N14 | 0.4° | 0.3° |
| C26 | C28 | C13 | H17 | 180.0° | 179.9° |
| C26 | C28 | C13 | C12 | 179.7° | 180.0° |
| C28 | C26 | C27 | H14 | 90.0° | 95.2° |
| C28 | C26 | C27 | H15 | 30.1° | 144.8° |
| C28 | C26 | C27 | H16 | 150.1° | 24.9° |
| C07 | C06 | C05 | H4 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C06 | C07 | C08 | H6 | 179.7° | 180.0° |
| N14 | C13 | C28 | C12 | 179.3° | 179.8° |
| N14 | C13 | C12 | N11 | 30.2° | 0.3° |
| N14 | C13 | C12 | O29 | 148.6° | 179.7° |
| N14 | C13 | C28 | H17 | 179.6° | 179.8° |
| C28 | C13 | C12 | N11 | 149.0° | 180.0° |
| C28 | C13 | C12 | O29 | 32.2° | 0.0° |
| C06 | C05 | C04 | N11 | 140.3° | 180.0° |
| C06 | C05 | C04 | C10 | 99.9° | 60.0° |
| C06 | C05 | C04 | C03 | 22.2° | 60.0° |
| C05 | C06 | C07 | H5 | 179.8° | 179.9° |
| C05 | C04 | N11 | C12 | 172.9° | 180.0° |
| C05 | C04 | N11 | C10 | 118.4° | 120.0° |
| C05 | C04 | N11 | C03 | 120.3° | 120.0° |
| C05 | C04 | C10 | C03 | 123.1° | 120.0° |
| C05 | C04 | C03 | O02 | 90.3° | 85.0° |
| C05 | C04 | C03 | O30 | 90.2° | 95.0° |
| C04 | C05 | C06 | H4 | 0.2° | 0.1° |
| C05 | C04 | C10 | H7 | 180.0° | 180.0° |
| C05 | C04 | C10 | H8 | 60.0° | 60.0° |
| C05 | C04 | C10 | H9 | 60.0° | 60.0° |
| C05 | C04 | N11 | H18 | 7.2° | 0.0° |
| C13 | C12 | N11 | O29 | 178.8° | 180.0° |
| C13 | C12 | N11 | C04 | 179.4° | 180.0° |
| C12 | C13 | C28 | H17 | 0.3° | 0.0° |
| C13 | C12 | N11 | H18 | 0.6° | 0.1° |
| C12 | N11 | C04 | H18 | 180.0° | 180.0° |
| C12 | N11 | C04 | C10 | 54.4° | 60.0° |
| C12 | N11 | C04 | C03 | 66.8° | 60.0° |
| C04 | N11 | C12 | O29 | 0.6° | 0.0° |
| N11 | C04 | C10 | C03 | 120.3° | 120.0° |
| N11 | C04 | C03 | O02 | 26.4° | 35.0° |
| N11 | C04 | C03 | O30 | 153.1° | 145.0° |
| N11 | C04 | C10 | H7 | 63.4° | 60.1° |
| N11 | C04 | C10 | H8 | 56.6° | 60.0° |
| N11 | C04 | C10 | H9 | 176.6° | 180.0° |
| O29 | C12 | N11 | H18 | 179.4° | 180.0° |
| C10 | C04 | C03 | O02 | 148.3° | 155.0° |
| C10 | C04 | C03 | O30 | 31.3° | 25.0° |
| C04 | C10 | H7 | H8 | 120.0° | 120.0° |
| C04 | C10 | H7 | H9 | 120.0° | 119.9° |
| C04 | C10 | H8 | H9 | 120.0° | 120.0° |
| C10 | C04 | N11 | H18 | 125.6° | 120.0° |
| C04 | C03 | O02 | O30 | 179.6° | 180.0° |
| C04 | C03 | O02 | C01 | 167.7° | 180.0° |
| C03 | C04 | C10 | H7 | 56.9° | 60.0° |
| C03 | C04 | C10 | H8 | 176.9° | 180.0° |
| C03 | C04 | C10 | H9 | 63.1° | 60.0° |
| C03 | C04 | N11 | H18 | 113.2° | 120.0° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O30 | C03 | O02 | C01 | 11.9° | 0.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | C07 | H5 | 0.2° | 0.0° |
| H5 | C07 | C08 | H6 | 0.3° | 0.1° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
| H11 | C23 | C24 | H12 | 0.0° | 0.3° |
| H12 | C24 | C25 | H13 | 0.6° | 0.6° |
| H14 | C27 | H15 | H16 | 120.0° | 120.0° |
