Y6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | N23 | sing | 1.47Å | 1.45Å | |
| C26 | N23 | sing | 1.46Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| N23 | S02 | sing | 1.66Å | 1.71Å | |
| O01 | S02 | doub | 1.42Å | 1.46Å | |
| O28 | S02 | doub | 1.42Å | 1.46Å | |
| S02 | C03 | sing | 1.76Å | 1.82Å | |
| C03 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.53Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C07 | N20 | sing | 1.33Å | 1.47Å | Aromatic |
| C07 | C08 | doub | 1.34Å | 1.42Å | Aromatic |
| N20 | C10 | doub | 1.30Å | 1.39Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.60Å | Aromatic |
| C17 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | S09 | sing | 1.76Å | 1.62Å | Aromatic |
| C10 | N11 | sing | 1.39Å | 1.46Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.46Å | |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.08Å | 1.08Å | |
| C05 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| N11 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | N23 | 110.7° | 109.5° |
| C25 | C24 | H12 | 109.2° | 109.5° |
| C25 | C24 | H13 | 109.2° | 109.5° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C24 | C25 | H18 | 109.5° | 109.4° |
| C24 | C25 | H19 | 109.5° | 109.5° |
| C24 | N23 | C26 | 118.5° | 120.0° |
| C24 | N23 | S02 | 117.9° | 120.0° |
| N23 | C24 | H12 | 109.2° | 109.5° |
| N23 | C24 | H13 | 109.2° | 109.4° |
| N23 | C26 | C27 | 110.9° | 109.5° |
| C26 | N23 | S02 | 118.2° | 120.1° |
| N23 | C26 | H20 | 109.1° | 109.5° |
| N23 | C26 | H21 | 109.1° | 109.4° |
| C27 | C26 | H20 | 109.1° | 109.5° |
| C27 | C26 | H21 | 109.1° | 109.5° |
| C26 | C27 | H22 | 109.5° | 109.5° |
| C26 | C27 | H23 | 109.5° | 109.5° |
| C26 | C27 | H24 | 109.5° | 109.5° |
| N23 | S02 | O01 | 111.1° | 106.4° |
| N23 | S02 | O28 | 111.4° | 106.4° |
| N23 | S02 | C03 | 110.4° | 107.2° |
| O01 | S02 | O28 | 101.4° | 123.1° |
| O01 | S02 | C03 | 110.9° | 106.4° |
| O28 | S02 | C03 | 111.3° | 106.4° |
| S02 | C03 | C22 | 119.3° | 119.9° |
| S02 | C03 | C04 | 120.2° | 119.9° |
| C22 | C03 | C04 | 120.5° | 120.2° |
| C03 | C22 | C21 | 119.6° | 120.1° |
| C03 | C22 | H11 | 120.2° | 120.0° |
| C03 | C04 | C05 | 119.9° | 120.2° |
| C03 | C04 | H14 | 120.1° | 120.0° |
| C22 | C21 | C06 | 120.0° | 119.9° |
| C22 | C21 | H10 | 120.0° | 120.1° |
| C21 | C22 | H11 | 120.2° | 119.9° |
| C04 | C05 | C06 | 119.6° | 119.9° |
| C05 | C04 | H14 | 120.0° | 119.9° |
| C04 | C05 | H15 | 120.2° | 120.1° |
| C21 | C06 | C05 | 120.4° | 119.7° |
| C21 | C06 | C07 | 118.9° | 120.2° |
| C06 | C21 | H10 | 120.0° | 120.0° |
| C05 | C06 | C07 | 120.7° | 120.1° |
| C06 | C05 | H15 | 120.2° | 120.1° |
| C06 | C07 | N20 | 123.7° | 122.3° |
| C06 | C07 | C08 | 126.1° | 122.4° |
| C18 | C17 | C19 | 119.9° | 120.0° |
| C18 | C17 | C15 | 120.2° | 120.0° |
| C17 | C18 | H6 | 109.5° | 109.4° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C17 | C18 | H8 | 109.5° | 109.5° |
| N20 | C07 | C08 | 110.1° | 115.3° |
| C07 | N20 | C10 | 111.4° | 116.8° |
| C07 | C08 | S09 | 109.5° | 108.3° |
| C07 | C08 | H16 | 125.2° | 125.9° |
| N20 | C10 | S09 | 109.3° | 109.5° |
| N20 | C10 | N11 | 126.0° | 125.2° |
| C08 | S09 | C10 | 99.7° | 90.1° |
| S09 | C08 | H16 | 125.3° | 125.9° |
| C19 | C17 | C15 | 120.0° | 120.0° |
| C17 | C19 | C12 | 120.5° | 119.9° |
| C17 | C19 | H9 | 119.8° | 120.0° |
| C17 | C15 | C16 | 120.2° | 119.9° |
| C17 | C15 | C14 | 119.8° | 120.2° |
| C19 | C12 | N11 | 121.7° | 120.0° |
| C19 | C12 | C13 | 119.3° | 119.8° |
| C12 | C19 | H9 | 119.8° | 120.1° |
| S09 | C10 | N11 | 124.7° | 125.3° |
| C10 | N11 | C12 | 123.5° | 120.0° |
| C10 | N11 | H25 | 118.2° | 120.1° |
| C16 | C15 | C14 | 120.0° | 119.9° |
| C15 | C16 | H3 | 109.5° | 109.5° |
| C15 | C16 | H4 | 109.5° | 109.5° |
| C15 | C16 | H5 | 109.4° | 109.5° |
| C15 | C14 | C13 | 120.1° | 120.1° |
| C15 | C14 | H2 | 119.9° | 120.0° |
| N11 | C12 | C13 | 119.0° | 120.1° |
| C12 | N11 | H25 | 118.2° | 119.9° |
| C12 | C13 | C14 | 120.3° | 119.9° |
| C12 | C13 | H1 | 119.8° | 120.1° |
| C14 | C13 | H1 | 119.8° | 120.0° |
| C13 | C14 | H2 | 120.0° | 119.9° |
| H3 | C16 | H4 | 109.5° | 109.5° |
| H3 | C16 | H5 | 109.5° | 109.4° |
| H4 | C16 | H5 | 109.5° | 109.4° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H8 | 109.4° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.4° | 109.4° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.4° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H24 | 109.4° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | N23 | H12 | 120.2° | 120.0° |
| C25 | C24 | N23 | H13 | 120.2° | 120.0° |
| C25 | C24 | N23 | C26 | 62.7° | 85.0° |
| C25 | C24 | N23 | S02 | 143.7° | 95.0° |
| C25 | C24 | H12 | H13 | 119.4° | 120.0° |
| C24 | C25 | H17 | H18 | 120.0° | 120.0° |
| C24 | C25 | H17 | H19 | 120.0° | 120.0° |
| C24 | C25 | H18 | H19 | 120.0° | 120.0° |
| C24 | N23 | C26 | S02 | 153.4° | 179.9° |
| C24 | N23 | C26 | C27 | 116.2° | 85.0° |
| C24 | N23 | S02 | O01 | 112.0° | 23.5° |
| C24 | N23 | S02 | O28 | 0.3° | 156.4° |
| C24 | N23 | S02 | C03 | 124.5° | 90.1° |
| N23 | C24 | H12 | H13 | 119.4° | 119.9° |
| N23 | C24 | C25 | H17 | 180.0° | 60.0° |
| N23 | C24 | C25 | H18 | 60.0° | 60.0° |
| N23 | C24 | C25 | H19 | 60.0° | 180.0° |
| C24 | N23 | C26 | H20 | 4.0° | 35.0° |
| C24 | N23 | C26 | H21 | 123.6° | 155.1° |
| N23 | C26 | C27 | H20 | 120.2° | 120.1° |
| N23 | C26 | C27 | H21 | 120.2° | 119.9° |
| C26 | N23 | S02 | O01 | 41.6° | 156.4° |
| C26 | N23 | S02 | O28 | 153.9° | 23.5° |
| C26 | N23 | S02 | C03 | 81.9° | 90.0° |
| C26 | N23 | C24 | H12 | 57.5° | 155.0° |
| C26 | N23 | C24 | H13 | 177.1° | 35.1° |
| N23 | C26 | H20 | H21 | 119.4° | 120.0° |
| N23 | C26 | C27 | H22 | 180.0° | 60.0° |
| N23 | C26 | C27 | H23 | 60.0° | 180.0° |
| N23 | C26 | C27 | H24 | 60.0° | 60.1° |
| C27 | C26 | N23 | S02 | 90.3° | 94.9° |
| C27 | C26 | H20 | H21 | 119.3° | 120.0° |
| C26 | C27 | H22 | H23 | 120.0° | 120.0° |
| C26 | C27 | H22 | H24 | 120.0° | 120.0° |
| C26 | C27 | H23 | H24 | 120.0° | 119.9° |
| N23 | S02 | O01 | O28 | 118.5° | 122.9° |
| N23 | S02 | O01 | C03 | 123.2° | 114.1° |
| N23 | S02 | O28 | C03 | 123.7° | 114.1° |
| N23 | S02 | C03 | C22 | 88.1° | 90.0° |
| N23 | S02 | C03 | C04 | 92.0° | 90.1° |
| S02 | N23 | C24 | H12 | 96.1° | 25.1° |
| S02 | N23 | C24 | H13 | 23.5° | 145.0° |
| S02 | N23 | C26 | H20 | 149.5° | 145.0° |
| S02 | N23 | C26 | H21 | 29.9° | 25.0° |
| O01 | S02 | O28 | C03 | 118.0° | 123.0° |
| O01 | S02 | C03 | C22 | 35.4° | 156.5° |
| O01 | S02 | C03 | C04 | 144.5° | 23.5° |
| O28 | S02 | C03 | C22 | 147.6° | 23.5° |
| O28 | S02 | C03 | C04 | 32.4° | 156.4° |
| S02 | C03 | C22 | C04 | 179.9° | 180.0° |
| S02 | C03 | C22 | C21 | 180.0° | 180.0° |
| S02 | C03 | C04 | C05 | 180.0° | 180.0° |
| S02 | C03 | C22 | H11 | 0.0° | 0.0° |
| S02 | C03 | C04 | H14 | 0.1° | 0.0° |
| C03 | C22 | C21 | H11 | 180.0° | 179.9° |
| C22 | C03 | C04 | C05 | 0.0° | 0.1° |
| C03 | C22 | C21 | C06 | 0.1° | 0.1° |
| C03 | C22 | C21 | H10 | 179.9° | 179.7° |
| C22 | C03 | C04 | H14 | 180.0° | 180.0° |
| C04 | C03 | C22 | C21 | 0.1° | 0.0° |
| C03 | C04 | C05 | H14 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C04 | C03 | C22 | H11 | 179.9° | 179.9° |
| C03 | C04 | C05 | H15 | 179.8° | 180.0° |
| C22 | C21 | C06 | H10 | 180.0° | 179.7° |
| C22 | C21 | C06 | C05 | 0.3° | 0.1° |
| C22 | C21 | C06 | C07 | 179.9° | 179.8° |
| C04 | C05 | C06 | C21 | 0.4° | 0.0° |
| C04 | C05 | C06 | H15 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.9° | 179.8° |
| C21 | C06 | C05 | C07 | 179.7° | 179.8° |
| C21 | C06 | C07 | N20 | 12.9° | 0.1° |
| C21 | C06 | C07 | C08 | 166.0° | 179.6° |
| C06 | C21 | C22 | H11 | 179.9° | 180.0° |
| C21 | C06 | C05 | H15 | 179.6° | 180.0° |
| C05 | C06 | C07 | N20 | 166.9° | 179.7° |
| C05 | C06 | C07 | C08 | 14.3° | 0.6° |
| C05 | C06 | C21 | H10 | 179.7° | 179.7° |
| C06 | C05 | C04 | H14 | 179.8° | 180.0° |
| C06 | C07 | N20 | C08 | 179.0° | 179.7° |
| C06 | C07 | N20 | C10 | 179.6° | 180.0° |
| C06 | C07 | C08 | S09 | 179.4° | 179.8° |
| C07 | C06 | C21 | H10 | 0.1° | 0.1° |
| C07 | C06 | C05 | H15 | 0.1° | 0.2° |
| C06 | C07 | C08 | H16 | 0.6° | 0.1° |
| C18 | C17 | C19 | C15 | 179.9° | 179.9° |
| C18 | C17 | C19 | C12 | 179.7° | 179.9° |
| C18 | C17 | C15 | C16 | 0.0° | 0.1° |
| C18 | C17 | C15 | C14 | 179.9° | 179.7° |
| C17 | C18 | H6 | H7 | 120.0° | 120.0° |
| C17 | C18 | H6 | H8 | 120.0° | 120.0° |
| C17 | C18 | H7 | H8 | 120.0° | 120.1° |
| C18 | C17 | C19 | H9 | 0.3° | 0.0° |
| N20 | C07 | C08 | S09 | 0.4° | 0.5° |
| C07 | N20 | C10 | S09 | 0.4° | 0.0° |
| C07 | N20 | C10 | N11 | 179.9° | 179.7° |
| N20 | C07 | C08 | H16 | 179.5° | 179.6° |
| C08 | C07 | N20 | C10 | 0.6° | 0.3° |
| C07 | C08 | S09 | H16 | 180.0° | 179.9° |
| C07 | C08 | S09 | C10 | 0.2° | 0.4° |
| N20 | C10 | S09 | C08 | 0.1° | 0.3° |
| N20 | C10 | S09 | N11 | 179.7° | 179.7° |
| N20 | C10 | N11 | C12 | 11.8° | 173.7° |
| N20 | C10 | N11 | H25 | 168.3° | 6.3° |
| C08 | S09 | C10 | N11 | 179.8° | 180.0° |
| C17 | C19 | C12 | H9 | 180.0° | 179.9° |
| C19 | C17 | C15 | C16 | 179.9° | 180.0° |
| C19 | C17 | C15 | C14 | 0.2° | 0.3° |
| C17 | C19 | C12 | N11 | 179.9° | 180.0° |
| C17 | C19 | C12 | C13 | 0.5° | 0.3° |
| C19 | C17 | C18 | H6 | 90.0° | 90.0° |
| C19 | C17 | C18 | H7 | 150.0° | 150.0° |
| C19 | C17 | C18 | H8 | 30.0° | 29.9° |
| C15 | C17 | C19 | C12 | 0.4° | 0.0° |
| C17 | C15 | C16 | C14 | 179.9° | 179.7° |
| C17 | C15 | C14 | C13 | 0.1° | 0.3° |
| C17 | C15 | C14 | H2 | 179.9° | 179.8° |
| C17 | C15 | C16 | H3 | 90.0° | 90.0° |
| C17 | C15 | C16 | H4 | 150.0° | 150.0° |
| C17 | C15 | C16 | H5 | 30.0° | 30.0° |
| C15 | C17 | C18 | H6 | 90.0° | 90.0° |
| C15 | C17 | C18 | H7 | 30.0° | 29.9° |
| C15 | C17 | C18 | H8 | 150.0° | 150.0° |
| C15 | C17 | C19 | H9 | 179.6° | 179.9° |
| C19 | C12 | N11 | C10 | 28.1° | 35.9° |
| C19 | C12 | N11 | C13 | 179.4° | 179.8° |
| C19 | C12 | C13 | C14 | 0.4° | 0.2° |
| C19 | C12 | C13 | H1 | 179.6° | 179.8° |
| C19 | C12 | N11 | H25 | 151.9° | 144.1° |
| S09 | C10 | N11 | C12 | 168.6° | 6.7° |
| C10 | S09 | C08 | H16 | 179.8° | 179.6° |
| S09 | C10 | N11 | H25 | 11.4° | 173.4° |
| C10 | N11 | C12 | H25 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 152.5° | 144.3° |
| C16 | C15 | C14 | C13 | 180.0° | 180.0° |
| C16 | C15 | C14 | H2 | 0.0° | 0.0° |
| C15 | C16 | H3 | H4 | 120.0° | 120.0° |
| C15 | C16 | H3 | H5 | 120.0° | 120.0° |
| C15 | C16 | H4 | H5 | 120.0° | 120.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | H2 | 180.0° | 179.9° |
| C15 | C14 | C13 | H1 | 179.8° | 180.0° |
| C14 | C15 | C16 | H3 | 90.0° | 90.3° |
| C14 | C15 | C16 | H4 | 30.0° | 29.7° |
| C14 | C15 | C16 | H5 | 150.0° | 149.7° |
| N11 | C12 | C13 | C14 | 179.8° | 180.0° |
| N11 | C12 | C13 | H1 | 0.2° | 0.0° |
| N11 | C12 | C19 | H9 | 0.1° | 0.1° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | H2 | 179.8° | 180.0° |
| C13 | C12 | C19 | H9 | 179.5° | 179.7° |
| C13 | C12 | N11 | H25 | 27.5° | 35.7° |
| H1 | C13 | C14 | H2 | 0.2° | 0.0° |
| H3 | C16 | H4 | H5 | 120.0° | 119.9° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H10 | C21 | C22 | H11 | 0.1° | 0.3° |
| H12 | C24 | C25 | H17 | 59.8° | 60.1° |
| H12 | C24 | C25 | H18 | 60.2° | 179.9° |
| H12 | C24 | C25 | H19 | 179.8° | 60.0° |
| H13 | C24 | C25 | H17 | 59.8° | 180.0° |
| H13 | C24 | C25 | H18 | 179.8° | 60.0° |
| H13 | C24 | C25 | H19 | 60.2° | 60.0° |
| H14 | C04 | C05 | H15 | 0.2° | 0.0° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
| H20 | C26 | C27 | H22 | 59.8° | 180.0° |
| H20 | C26 | C27 | H23 | 179.8° | 59.9° |
| H20 | C26 | C27 | H24 | 60.2° | 60.0° |
| H21 | C26 | C27 | H22 | 59.8° | 60.0° |
| H21 | C26 | C27 | H23 | 60.2° | 60.1° |
| H21 | C26 | C27 | H24 | 179.8° | 180.0° |
| H22 | C27 | H23 | H24 | 120.0° | 120.0° |
