8W8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F34 | C25 | sing | 1.40Å | 1.35Å | |
| F33 | C25 | sing | 1.40Å | 1.36Å | |
| C25 | F35 | sing | 1.40Å | 1.36Å | |
| C25 | C20 | sing | 1.51Å | 1.50Å | |
| O29 | C20 | doub | 1.21Å | 1.22Å | |
| C20 | N28 | sing | 1.35Å | 1.38Å | |
| C22 | O30 | sing | 1.43Å | 1.43Å | |
| O30 | C18 | sing | 1.36Å | 1.40Å | |
| N28 | C24 | sing | 1.46Å | 1.46Å | |
| C18 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C21 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C14 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | O31 | sing | 1.43Å | 1.43Å | |
| O31 | C17 | sing | 1.36Å | 1.40Å | |
| C17 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.46Å | 1.41Å | Aromatic |
| C13 | C15 | doub | 1.41Å | 1.39Å | Aromatic |
| C3 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N26 | doub | 1.30Å | 1.33Å | Aromatic |
| C15 | N27 | sing | 1.37Å | 1.38Å | Aromatic |
| N26 | N27 | sing | 1.40Å | 1.35Å | Aromatic |
| N27 | C16 | sing | 1.40Å | 1.41Å | |
| C16 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | F32 | sing | 1.35Å | 1.34Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F34 | C25 | F33 | 104.5° | 109.5° |
| F34 | C25 | F35 | 106.8° | 109.5° |
| F34 | C25 | C20 | 110.7° | 109.5° |
| F33 | C25 | F35 | 108.5° | 109.5° |
| F33 | C25 | C20 | 110.9° | 109.5° |
| F35 | C25 | C20 | 114.8° | 109.4° |
| C25 | C20 | O29 | 119.5° | 120.0° |
| C25 | C20 | N28 | 114.5° | 120.0° |
| O29 | C20 | N28 | 126.0° | 120.0° |
| C20 | N28 | C24 | 119.8° | 120.0° |
| C20 | N28 | H21 | 120.1° | 120.0° |
| C22 | O30 | C18 | 112.0° | 117.0° |
| O30 | C22 | H13 | 109.5° | 109.4° |
| O30 | C22 | H14 | 109.5° | 109.5° |
| O30 | C22 | H15 | 109.4° | 109.5° |
| O30 | C18 | C6 | 123.0° | 120.0° |
| O30 | C18 | C11 | 116.6° | 120.1° |
| N28 | C24 | C21 | 110.0° | 109.5° |
| N28 | C24 | C23 | 113.7° | 109.5° |
| N28 | C24 | H16 | 107.3° | 109.5° |
| C24 | N28 | H21 | 120.1° | 120.0° |
| C6 | C18 | C11 | 120.4° | 119.9° |
| C18 | C6 | C1 | 119.5° | 119.9° |
| C18 | C6 | H19 | 120.2° | 120.1° |
| C18 | C11 | C14 | 120.3° | 119.9° |
| C18 | C11 | H8 | 119.8° | 120.0° |
| C6 | C1 | C2 | 120.0° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.1° |
| C1 | C6 | H19 | 120.2° | 120.0° |
| C11 | C14 | C2 | 118.9° | 120.0° |
| C11 | C14 | C23 | 120.0° | 120.0° |
| C14 | C11 | H8 | 119.8° | 120.0° |
| C1 | C2 | C14 | 120.8° | 120.1° |
| C2 | C1 | H1 | 120.0° | 119.9° |
| C1 | C2 | H2 | 119.6° | 119.9° |
| C21 | C24 | C23 | 112.2° | 109.4° |
| C24 | C21 | H10 | 109.5° | 109.5° |
| C24 | C21 | H11 | 109.5° | 109.5° |
| C24 | C21 | H12 | 109.4° | 109.5° |
| C21 | C24 | H16 | 106.6° | 109.5° |
| C24 | C23 | C14 | 111.6° | 109.4° |
| C24 | C23 | O31 | 104.6° | 109.5° |
| C23 | C24 | H16 | 106.6° | 109.5° |
| C24 | C23 | H20 | 110.0° | 109.5° |
| C2 | C14 | C23 | 121.0° | 120.0° |
| C14 | C2 | H2 | 119.6° | 119.9° |
| C14 | C23 | O31 | 108.8° | 109.5° |
| C14 | C23 | H20 | 110.3° | 109.4° |
| C23 | O31 | C17 | 117.3° | 117.0° |
| O31 | C23 | H20 | 111.5° | 109.4° |
| O31 | C17 | C10 | 123.1° | 119.8° |
| O31 | C17 | C7 | 115.0° | 119.9° |
| C10 | C17 | C7 | 121.8° | 120.3° |
| C17 | C10 | C13 | 116.0° | 119.5° |
| C17 | C10 | H7 | 122.0° | 120.3° |
| C17 | C7 | C3 | 123.1° | 120.8° |
| C17 | C7 | H4 | 118.5° | 119.6° |
| C10 | C13 | C12 | 133.7° | 134.0° |
| C10 | C13 | C15 | 121.4° | 119.7° |
| C13 | C10 | H7 | 122.0° | 120.2° |
| C7 | C3 | C15 | 114.8° | 120.1° |
| C7 | C3 | H3 | 122.6° | 120.0° |
| C3 | C7 | H4 | 118.5° | 119.6° |
| C12 | C13 | C15 | 105.0° | 106.4° |
| C13 | C12 | N26 | 112.0° | 107.9° |
| C13 | C12 | H9 | 124.0° | 126.1° |
| C13 | C15 | C3 | 123.0° | 119.6° |
| C13 | C15 | N27 | 105.4° | 106.6° |
| C3 | C15 | N27 | 131.5° | 133.8° |
| C15 | C3 | H3 | 122.6° | 119.9° |
| C12 | N26 | N27 | 104.5° | 110.1° |
| N26 | C12 | H9 | 124.0° | 126.1° |
| C15 | N27 | N26 | 113.1° | 109.1° |
| C15 | N27 | C16 | 128.6° | 125.4° |
| N26 | N27 | C16 | 118.2° | 125.5° |
| N27 | C16 | C5 | 118.4° | 120.0° |
| N27 | C16 | C4 | 120.3° | 120.1° |
| C5 | C16 | C4 | 121.2° | 119.9° |
| C16 | C5 | C9 | 120.3° | 119.9° |
| C16 | C5 | H18 | 119.9° | 120.0° |
| C16 | C4 | C8 | 118.8° | 119.9° |
| C16 | C4 | H17 | 120.6° | 120.1° |
| C5 | C9 | C19 | 118.1° | 120.1° |
| C5 | C9 | H6 | 121.0° | 120.0° |
| C9 | C5 | H18 | 119.9° | 120.0° |
| C4 | C8 | C19 | 119.8° | 120.0° |
| C4 | C8 | H5 | 120.1° | 119.9° |
| C8 | C4 | H17 | 120.6° | 120.0° |
| C9 | C19 | C8 | 121.8° | 120.1° |
| C9 | C19 | F32 | 119.7° | 119.9° |
| C19 | C9 | H6 | 121.0° | 120.0° |
| C8 | C19 | F32 | 118.5° | 120.0° |
| C19 | C8 | H5 | 120.1° | 120.0° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H12 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H13 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F34 | C25 | F33 | F35 | 113.7° | 120.0° |
| F34 | C25 | F33 | C20 | 119.3° | 120.0° |
| F34 | C25 | F35 | C20 | 123.2° | 120.0° |
| F34 | C25 | C20 | O29 | 45.6° | 120.0° |
| F34 | C25 | C20 | N28 | 135.3° | 60.0° |
| F33 | C25 | F35 | C20 | 124.7° | 120.0° |
| F33 | C25 | C20 | O29 | 69.9° | 119.9° |
| F33 | C25 | C20 | N28 | 109.2° | 60.0° |
| F35 | C25 | C20 | O29 | 166.7° | 0.0° |
| F35 | C25 | C20 | N28 | 14.3° | 180.0° |
| C25 | C20 | O29 | N28 | 178.9° | 180.0° |
| C25 | C20 | N28 | C24 | 171.7° | 180.0° |
| C25 | C20 | N28 | H21 | 8.4° | 0.0° |
| O29 | C20 | N28 | C24 | 7.3° | 0.0° |
| O29 | C20 | N28 | H21 | 172.7° | 179.9° |
| C20 | N28 | C24 | H21 | 180.0° | 179.9° |
| C20 | N28 | C24 | C21 | 123.4° | 155.0° |
| C20 | N28 | C24 | C23 | 109.8° | 85.0° |
| C20 | N28 | C24 | H16 | 7.8° | 35.0° |
| C22 | O30 | C18 | C6 | 2.4° | 0.0° |
| C22 | O30 | C18 | C11 | 178.1° | 179.4° |
| O30 | C22 | H13 | H14 | 120.0° | 120.0° |
| O30 | C22 | H13 | H15 | 120.0° | 120.0° |
| O30 | C22 | H14 | H15 | 120.0° | 120.1° |
| O30 | C18 | C6 | C11 | 179.4° | 179.4° |
| O30 | C18 | C6 | C1 | 179.6° | 179.9° |
| O30 | C18 | C11 | C14 | 179.3° | 179.7° |
| O30 | C18 | C11 | H8 | 0.7° | 0.3° |
| C18 | O30 | C22 | H13 | 180.0° | 180.0° |
| C18 | O30 | C22 | H14 | 60.0° | 60.1° |
| C18 | O30 | C22 | H15 | 60.0° | 60.0° |
| O30 | C18 | C6 | H19 | 0.4° | 0.0° |
| N28 | C24 | C21 | C23 | 127.6° | 120.0° |
| N28 | C24 | C21 | H16 | 116.1° | 120.0° |
| N28 | C24 | C23 | H16 | 118.0° | 120.0° |
| N28 | C24 | C23 | C14 | 52.5° | 60.0° |
| N28 | C24 | C23 | O31 | 169.9° | 180.0° |
| N28 | C24 | C21 | H10 | 180.0° | 180.0° |
| N28 | C24 | C21 | H11 | 60.0° | 60.0° |
| N28 | C24 | C21 | H12 | 60.0° | 60.0° |
| N28 | C24 | C23 | H20 | 70.2° | 60.0° |
| C18 | C6 | C1 | H19 | 180.0° | 180.0° |
| C6 | C18 | C11 | C14 | 1.2° | 0.8° |
| C18 | C6 | C1 | C2 | 0.2° | 0.0° |
| C18 | C6 | C1 | H1 | 179.8° | 179.7° |
| C6 | C18 | C11 | H8 | 178.8° | 179.7° |
| C11 | C18 | C6 | C1 | 1.0° | 0.5° |
| C18 | C11 | C14 | H8 | 180.0° | 179.4° |
| C18 | C11 | C14 | C2 | 0.6° | 0.6° |
| C18 | C11 | C14 | C23 | 180.0° | 179.5° |
| C11 | C18 | C6 | H19 | 179.0° | 179.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C14 | 0.4° | 0.3° |
| C6 | C1 | C2 | H2 | 179.6° | 179.8° |
| C11 | C14 | C2 | C1 | 0.2° | 0.0° |
| C11 | C14 | C23 | C24 | 92.4° | 95.0° |
| C11 | C14 | C2 | C23 | 179.4° | 179.9° |
| C11 | C14 | C23 | O31 | 152.7° | 144.9° |
| C11 | C14 | C2 | H2 | 179.7° | 179.9° |
| C11 | C14 | C23 | H20 | 30.2° | 25.0° |
| C1 | C2 | C14 | H2 | 180.0° | 180.0° |
| C1 | C2 | C14 | C23 | 179.2° | 180.0° |
| C2 | C1 | C6 | H19 | 179.8° | 180.0° |
| C21 | C24 | C23 | H16 | 116.4° | 120.0° |
| C21 | C24 | C23 | C14 | 178.1° | 180.0° |
| C21 | C24 | C23 | O31 | 64.5° | 60.0° |
| C24 | C21 | H10 | H11 | 120.0° | 120.0° |
| C24 | C21 | H10 | H12 | 120.0° | 120.0° |
| C24 | C21 | H11 | H12 | 120.0° | 120.0° |
| C21 | C24 | C23 | H20 | 55.3° | 60.0° |
| C21 | C24 | N28 | H21 | 56.6° | 25.1° |
| C24 | C23 | C14 | C2 | 88.2° | 85.1° |
| C24 | C23 | C14 | O31 | 114.9° | 120.1° |
| C24 | C23 | C14 | H20 | 122.6° | 120.0° |
| C24 | C23 | O31 | H20 | 118.9° | 120.1° |
| C24 | C23 | O31 | C17 | 159.3° | 99.3° |
| C23 | C24 | C21 | H10 | 52.4° | 60.0° |
| C23 | C24 | C21 | H11 | 172.5° | 180.0° |
| C23 | C24 | C21 | H12 | 67.6° | 60.0° |
| C23 | C24 | N28 | H21 | 70.2° | 94.9° |
| C2 | C14 | C23 | O31 | 26.7° | 35.0° |
| C14 | C2 | C1 | H1 | 179.6° | 180.0° |
| C2 | C14 | C11 | H8 | 179.4° | 180.0° |
| C2 | C14 | C23 | H20 | 149.2° | 154.9° |
| C14 | C23 | O31 | H20 | 121.8° | 119.9° |
| C14 | C23 | O31 | C17 | 81.3° | 140.7° |
| C23 | C14 | C2 | H2 | 0.9° | 0.0° |
| C23 | C14 | C11 | H8 | 0.0° | 0.0° |
| C14 | C23 | C24 | H16 | 65.5° | 60.0° |
| C23 | O31 | C17 | C10 | 29.9° | 5.5° |
| C23 | O31 | C17 | C7 | 153.0° | 174.2° |
| O31 | C23 | C24 | H16 | 51.9° | 60.0° |
| O31 | C17 | C10 | C7 | 176.9° | 179.7° |
| O31 | C17 | C10 | C13 | 178.2° | 180.0° |
| O31 | C17 | C7 | C3 | 177.5° | 179.8° |
| O31 | C17 | C7 | H4 | 2.5° | 0.3° |
| O31 | C17 | C10 | H7 | 1.8° | 0.6° |
| C17 | O31 | C23 | H20 | 40.4° | 20.8° |
| C17 | C10 | C13 | H7 | 180.0° | 179.4° |
| C10 | C17 | C7 | C3 | 0.3° | 0.1° |
| C17 | C10 | C13 | C12 | 179.8° | 179.5° |
| C17 | C10 | C13 | C15 | 1.6° | 0.6° |
| C10 | C17 | C7 | H4 | 179.7° | 180.0° |
| C7 | C17 | C10 | C13 | 1.2° | 0.3° |
| C17 | C7 | C3 | H4 | 180.0° | 179.9° |
| C17 | C7 | C3 | C15 | 0.3° | 0.1° |
| C17 | C7 | C3 | H3 | 179.7° | 179.7° |
| C7 | C17 | C10 | H7 | 178.8° | 179.7° |
| C10 | C13 | C12 | C15 | 178.8° | 179.9° |
| C10 | C13 | C15 | C3 | 1.1° | 0.6° |
| C10 | C13 | C12 | N26 | 178.4° | 179.1° |
| C10 | C13 | C15 | N27 | 179.0° | 179.5° |
| C10 | C13 | C12 | H9 | 1.6° | 0.0° |
| C7 | C3 | C15 | C13 | 0.1° | 0.4° |
| C7 | C3 | C15 | H3 | 180.0° | 179.6° |
| C7 | C3 | C15 | N27 | 179.9° | 179.7° |
| C12 | C13 | C15 | C3 | 179.9° | 179.5° |
| C13 | C12 | N26 | H9 | 180.0° | 179.1° |
| C12 | C13 | C15 | N27 | 0.0° | 0.5° |
| C13 | C12 | N26 | N27 | 0.7° | 0.9° |
| C12 | C13 | C10 | H7 | 0.2° | 0.1° |
| C13 | C15 | C3 | N27 | 179.9° | 179.9° |
| C15 | C13 | C12 | N26 | 0.4° | 0.8° |
| C13 | C15 | N27 | N26 | 0.5° | 0.0° |
| C13 | C15 | N27 | C16 | 178.5° | 179.9° |
| C13 | C15 | C3 | H3 | 179.9° | 179.9° |
| C15 | C13 | C10 | H7 | 178.4° | 180.0° |
| C15 | C13 | C12 | H9 | 179.6° | 180.0° |
| C3 | C15 | N27 | N26 | 179.6° | 180.0° |
| C3 | C15 | N27 | C16 | 1.6° | 0.0° |
| C15 | C3 | C7 | H4 | 179.7° | 180.0° |
| C12 | N26 | N27 | C15 | 0.7° | 0.6° |
| C12 | N26 | N27 | C16 | 179.0° | 179.4° |
| C15 | N27 | N26 | C16 | 178.3° | 180.0° |
| C15 | N27 | C16 | C5 | 135.7° | 145.0° |
| C15 | N27 | C16 | C4 | 46.7° | 35.7° |
| N27 | C15 | C3 | H3 | 0.1° | 0.2° |
| N26 | N27 | C16 | C5 | 46.4° | 34.9° |
| N26 | N27 | C16 | C4 | 131.2° | 144.3° |
| N27 | N26 | C12 | H9 | 179.3° | 180.0° |
| N27 | C16 | C5 | C4 | 177.6° | 179.2° |
| N27 | C16 | C5 | C9 | 178.0° | 180.0° |
| N27 | C16 | C4 | C8 | 178.0° | 179.8° |
| N27 | C16 | C4 | H17 | 2.0° | 0.3° |
| N27 | C16 | C5 | H18 | 2.0° | 0.7° |
| C16 | C5 | C9 | H18 | 180.0° | 179.3° |
| C5 | C16 | C4 | C8 | 0.4° | 0.5° |
| C16 | C5 | C9 | C19 | 0.1° | 0.5° |
| C16 | C5 | C9 | H6 | 179.9° | 179.5° |
| C5 | C16 | C4 | H17 | 179.6° | 179.5° |
| C4 | C16 | C5 | C9 | 0.4° | 0.8° |
| C16 | C4 | C8 | H17 | 180.0° | 180.0° |
| C16 | C4 | C8 | C19 | 0.1° | 0.0° |
| C16 | C4 | C8 | H5 | 179.9° | 179.7° |
| C4 | C16 | C5 | H18 | 179.6° | 179.9° |
| C5 | C9 | C19 | H6 | 180.0° | 179.9° |
| C5 | C9 | C19 | C8 | 0.6° | 0.0° |
| C5 | C9 | C19 | F32 | 179.8° | 180.0° |
| C4 | C8 | C19 | C9 | 0.6° | 0.3° |
| C4 | C8 | C19 | H5 | 180.0° | 179.7° |
| C4 | C8 | C19 | F32 | 179.8° | 179.8° |
| C9 | C19 | C8 | F32 | 179.6° | 180.0° |
| C9 | C19 | C8 | H5 | 179.4° | 180.0° |
| C19 | C9 | C5 | H18 | 179.9° | 179.8° |
| C8 | C19 | C9 | H6 | 179.4° | 180.0° |
| C19 | C8 | C4 | H17 | 179.9° | 180.0° |
| F32 | C19 | C8 | H5 | 0.3° | 0.0° |
| F32 | C19 | C9 | H6 | 0.2° | 0.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.1° |
| H1 | C1 | C6 | H19 | 0.2° | 0.3° |
| H3 | C3 | C7 | H4 | 0.3° | 0.4° |
| H5 | C8 | C4 | H17 | 0.1° | 0.3° |
| H6 | C9 | C5 | H18 | 0.1° | 0.2° |
| H10 | C21 | H11 | H12 | 120.0° | 120.0° |
| H10 | C21 | C24 | H16 | 63.9° | 60.0° |
| H11 | C21 | C24 | H16 | 56.1° | 60.0° |
| H12 | C21 | C24 | H16 | 176.1° | 180.0° |
| H13 | C22 | H14 | H15 | 120.0° | 120.0° |
| H16 | C24 | C23 | H20 | 171.7° | 180.0° |
| H16 | C24 | N28 | H21 | 172.2° | 145.0° |
