1KF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C2 | doub | 1.21Å | 1.26Å | |
| O1 | C2 | sing | 1.34Å | 1.26Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | O9 | sing | 1.36Å | 1.38Å | |
| C10 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.35Å | 1.38Å | Aromatic |
| C31 | N17 | sing | 1.37Å | 1.33Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.47Å | |
| C30 | N29 | sing | 1.34Å | 1.35Å | Aromatic |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| N17 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| N29 | C18 | doub | 1.31Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.39Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C23 | F25 | sing | 1.40Å | 1.31Å | |
| C23 | F24 | sing | 1.40Å | 1.32Å | |
| C23 | F26 | sing | 1.40Å | 1.31Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H38 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H40 | sing | 1.09Å | 1.10Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å | |
| C7 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C13 | H48 | sing | 1.08Å | 1.08Å | |
| C20 | H52 | sing | 1.08Å | 1.08Å | |
| C21 | H53 | sing | 1.08Å | 1.08Å | |
| C28 | H55 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| C12 | H47 | sing | 1.08Å | 1.08Å | |
| C11 | H46 | sing | 1.08Å | 1.08Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.08Å | 1.08Å | |
| C27 | H54 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C2 | O1 | 124.5° | 120.0° |
| O33 | C2 | C3 | 116.7° | 120.0° |
| O1 | C2 | C3 | 118.8° | 120.0° |
| C2 | O1 | H1 | 109.5° | 117.0° |
| C2 | C3 | C4 | 111.2° | 109.5° |
| C2 | C3 | H36 | 109.0° | 109.5° |
| C2 | C3 | H35 | 109.0° | 109.5° |
| C32 | C31 | C30 | 116.7° | 126.5° |
| C32 | C31 | N17 | 134.1° | 126.5° |
| C31 | C32 | H57 | 109.5° | 109.4° |
| C31 | C32 | H59 | 109.4° | 109.5° |
| C31 | C32 | H58 | 109.5° | 109.4° |
| C3 | C4 | C6 | 112.2° | 109.4° |
| C3 | C4 | C5 | 108.8° | 109.5° |
| C3 | C4 | H34 | 107.6° | 109.5° |
| C4 | C3 | H36 | 109.1° | 109.4° |
| C4 | C3 | H35 | 109.0° | 109.5° |
| C7 | C8 | O9 | 111.4° | 109.5° |
| C8 | C7 | C6 | 110.7° | 109.4° |
| C8 | C7 | H42 | 109.2° | 109.5° |
| C8 | C7 | H43 | 109.2° | 109.5° |
| C7 | C8 | H45 | 109.0° | 109.5° |
| C7 | C8 | H44 | 109.0° | 109.5° |
| C8 | O9 | C10 | 124.8° | 117.0° |
| O9 | C8 | H45 | 108.9° | 109.4° |
| O9 | C8 | H44 | 109.0° | 109.5° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C12 | C11 | C10 | 120.2° | 120.0° |
| C11 | C12 | H47 | 119.6° | 120.0° |
| C12 | C11 | H46 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.1° |
| C12 | C13 | H48 | 120.4° | 119.9° |
| C13 | C12 | H47 | 119.6° | 120.0° |
| C11 | C10 | O9 | 122.7° | 120.1° |
| C11 | C10 | C15 | 117.7° | 119.9° |
| C10 | C11 | H46 | 119.9° | 120.0° |
| C4 | C6 | C7 | 112.4° | 109.4° |
| C6 | C4 | C5 | 112.7° | 109.5° |
| C6 | C4 | H34 | 107.5° | 109.5° |
| C4 | C6 | H41 | 108.8° | 109.5° |
| C4 | C6 | H40 | 108.7° | 109.5° |
| C7 | C6 | H41 | 108.7° | 109.4° |
| C7 | C6 | H40 | 108.8° | 109.5° |
| C6 | C7 | H42 | 109.1° | 109.4° |
| C6 | C7 | H43 | 109.2° | 109.5° |
| C5 | C4 | H34 | 107.8° | 109.5° |
| C4 | C5 | H38 | 109.5° | 109.5° |
| C4 | C5 | H37 | 109.5° | 109.5° |
| C4 | C5 | H39 | 109.5° | 109.4° |
| C13 | C14 | C15 | 119.0° | 120.1° |
| C14 | C13 | H48 | 120.4° | 120.0° |
| C13 | C14 | H49 | 120.5° | 119.9° |
| O9 | C10 | C15 | 119.6° | 120.0° |
| C10 | C15 | C14 | 123.0° | 119.9° |
| C10 | C15 | C16 | 116.2° | 120.0° |
| C30 | C31 | N17 | 109.2° | 107.0° |
| C31 | C30 | N29 | 106.3° | 108.4° |
| C31 | C30 | H56 | 126.9° | 125.8° |
| C31 | N17 | C16 | 122.1° | 126.5° |
| C31 | N17 | C18 | 107.4° | 107.0° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C15 | C14 | H49 | 120.5° | 120.0° |
| C15 | C16 | N17 | 117.4° | 109.5° |
| C15 | C16 | H51 | 107.5° | 109.5° |
| C15 | C16 | H50 | 107.5° | 109.5° |
| C30 | N29 | C18 | 108.8° | 109.2° |
| N29 | C30 | H56 | 126.9° | 125.8° |
| C16 | N17 | C18 | 130.0° | 126.5° |
| N17 | C16 | H51 | 107.5° | 109.4° |
| N17 | C16 | H50 | 107.5° | 109.4° |
| N17 | C18 | N29 | 108.3° | 108.4° |
| N17 | C18 | C19 | 130.4° | 125.8° |
| N29 | C18 | C19 | 121.3° | 125.8° |
| C18 | C19 | C20 | 124.5° | 120.1° |
| C18 | C19 | C28 | 117.9° | 120.1° |
| C20 | C19 | C28 | 117.7° | 119.7° |
| C19 | C20 | C21 | 121.7° | 119.8° |
| C19 | C20 | H52 | 119.2° | 120.1° |
| C19 | C28 | C27 | 120.7° | 119.9° |
| C19 | C28 | H55 | 119.7° | 120.1° |
| C20 | C21 | C22 | 120.0° | 120.2° |
| C21 | C20 | H52 | 119.1° | 120.1° |
| C20 | C21 | H53 | 120.0° | 120.0° |
| C28 | C27 | C22 | 121.3° | 120.1° |
| C27 | C28 | H55 | 119.6° | 120.1° |
| C28 | C27 | H54 | 119.4° | 119.9° |
| C21 | C22 | C27 | 118.6° | 120.3° |
| C21 | C22 | C23 | 120.0° | 119.9° |
| C22 | C21 | H53 | 120.0° | 119.9° |
| C27 | C22 | C23 | 121.4° | 119.9° |
| C22 | C27 | H54 | 119.4° | 119.9° |
| C22 | C23 | F25 | 107.7° | 109.4° |
| C22 | C23 | F24 | 109.2° | 109.5° |
| C22 | C23 | F26 | 111.6° | 109.4° |
| F25 | C23 | F24 | 110.9° | 109.5° |
| F25 | C23 | F26 | 103.6° | 109.5° |
| F24 | C23 | F26 | 113.7° | 109.5° |
| H38 | C5 | H37 | 109.5° | 109.5° |
| H38 | C5 | H39 | 109.4° | 109.5° |
| H37 | C5 | H39 | 109.5° | 109.5° |
| H41 | C6 | H40 | 109.4° | 109.5° |
| H42 | C7 | H43 | 109.5° | 109.5° |
| H45 | C8 | H44 | 109.5° | 109.5° |
| H36 | C3 | H35 | 109.5° | 109.5° |
| H51 | C16 | H50 | 109.4° | 109.5° |
| H57 | C32 | H59 | 109.5° | 109.5° |
| H57 | C32 | H58 | 109.5° | 109.5° |
| H59 | C32 | H58 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C2 | O1 | C3 | 179.2° | 180.0° |
| O33 | C2 | C3 | C4 | 0.7° | 0.0° |
| O33 | C2 | O1 | H1 | 0.0° | 0.0° |
| O33 | C2 | C3 | H36 | 119.6° | 119.9° |
| O33 | C2 | C3 | H35 | 120.9° | 120.0° |
| O1 | C2 | C3 | C4 | 178.6° | 180.0° |
| O1 | C2 | C3 | H36 | 61.1° | 60.0° |
| O1 | C2 | C3 | H35 | 58.3° | 60.0° |
| C2 | C3 | C4 | H36 | 120.3° | 120.0° |
| C2 | C3 | C4 | H35 | 120.2° | 120.0° |
| C2 | C3 | C4 | C6 | 77.5° | 175.0° |
| C2 | C3 | C4 | C5 | 157.2° | 65.0° |
| C2 | C3 | C4 | H34 | 40.7° | 55.0° |
| C3 | C2 | O1 | H1 | 179.2° | 180.0° |
| C2 | C3 | H36 | H35 | 119.2° | 120.0° |
| C32 | C31 | C30 | N17 | 179.4° | 179.9° |
| C32 | C31 | C30 | N29 | 178.9° | 180.0° |
| C32 | C31 | N17 | C16 | 5.0° | 0.0° |
| C32 | C31 | N17 | C18 | 178.6° | 179.7° |
| C31 | C32 | H57 | H59 | 120.0° | 120.0° |
| C31 | C32 | H57 | H58 | 120.0° | 119.9° |
| C31 | C32 | H59 | H58 | 120.0° | 120.0° |
| C32 | C31 | C30 | H56 | 1.0° | 0.1° |
| C3 | C4 | C6 | C5 | 123.2° | 120.0° |
| C3 | C4 | C6 | H34 | 118.2° | 120.0° |
| C3 | C4 | C6 | C7 | 167.2° | 175.0° |
| C3 | C4 | C5 | H34 | 116.4° | 120.0° |
| C3 | C4 | C5 | H38 | 180.0° | 60.0° |
| C3 | C4 | C5 | H37 | 60.0° | 60.1° |
| C3 | C4 | C5 | H39 | 60.0° | 180.0° |
| C3 | C4 | C6 | H41 | 46.7° | 55.0° |
| C3 | C4 | C6 | H40 | 72.4° | 65.0° |
| C4 | C3 | H36 | H35 | 119.2° | 120.0° |
| C7 | C8 | O9 | H45 | 120.3° | 120.0° |
| C7 | C8 | O9 | H44 | 120.3° | 120.0° |
| C8 | C7 | C6 | C4 | 162.1° | 180.0° |
| C8 | C7 | C6 | H42 | 120.2° | 120.0° |
| C8 | C7 | C6 | H43 | 120.2° | 120.0° |
| C7 | C8 | O9 | C10 | 166.3° | 180.0° |
| C8 | C7 | C6 | H41 | 41.6° | 60.0° |
| C8 | C7 | C6 | H40 | 77.5° | 60.0° |
| C8 | C7 | H42 | H43 | 119.5° | 120.0° |
| C7 | C8 | H45 | H44 | 119.1° | 120.1° |
| C8 | O9 | C10 | C11 | 18.1° | 0.2° |
| O9 | C8 | C7 | C6 | 63.5° | 180.0° |
| C8 | O9 | C10 | C15 | 162.2° | 180.0° |
| O9 | C8 | C7 | H42 | 176.4° | 60.0° |
| O9 | C8 | C7 | H43 | 56.7° | 60.0° |
| O9 | C8 | H45 | H44 | 119.1° | 120.0° |
| C11 | C12 | C13 | H47 | 180.0° | 179.9° |
| C12 | C11 | C10 | H46 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.3° |
| C12 | C11 | C10 | O9 | 179.2° | 180.0° |
| C12 | C11 | C10 | C15 | 0.6° | 0.2° |
| C11 | C12 | C13 | H48 | 179.4° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C13 | C14 | H48 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.8° | 0.3° |
| C12 | C13 | C14 | H49 | 179.2° | 179.8° |
| C13 | C12 | C11 | H46 | 179.5° | 180.0° |
| C11 | C10 | O9 | C15 | 179.7° | 179.8° |
| C11 | C10 | C15 | C14 | 0.8° | 0.2° |
| C11 | C10 | C15 | C16 | 179.2° | 179.7° |
| C10 | C11 | C12 | H47 | 179.5° | 179.9° |
| C4 | C6 | C7 | H41 | 120.5° | 120.0° |
| C4 | C6 | C7 | H40 | 120.4° | 120.0° |
| C6 | C4 | C5 | H34 | 118.5° | 120.0° |
| C6 | C4 | C5 | H38 | 54.9° | 60.0° |
| C6 | C4 | C5 | H37 | 65.1° | 180.0° |
| C6 | C4 | C5 | H39 | 174.9° | 60.0° |
| C4 | C6 | H41 | H40 | 118.7° | 120.1° |
| C4 | C6 | C7 | H42 | 41.9° | 60.0° |
| C4 | C6 | C7 | H43 | 77.7° | 60.0° |
| C6 | C4 | C3 | H36 | 42.8° | 65.0° |
| C6 | C4 | C3 | H35 | 162.3° | 55.0° |
| C7 | C6 | C4 | C5 | 69.7° | 65.1° |
| C7 | C6 | C4 | H34 | 48.9° | 55.0° |
| C7 | C6 | H41 | H40 | 118.7° | 120.0° |
| C6 | C7 | H42 | H43 | 119.4° | 120.1° |
| C6 | C7 | C8 | H45 | 176.2° | 60.0° |
| C6 | C7 | C8 | H44 | 56.8° | 60.0° |
| C4 | C5 | H38 | H37 | 120.0° | 120.0° |
| C4 | C5 | H38 | H39 | 120.0° | 119.9° |
| C4 | C5 | H37 | H39 | 120.0° | 119.9° |
| C5 | C4 | C6 | H41 | 169.9° | 175.0° |
| C5 | C4 | C6 | H40 | 50.8° | 55.0° |
| C5 | C4 | C3 | H36 | 82.6° | 55.0° |
| C5 | C4 | C3 | H35 | 36.9° | 175.0° |
| C13 | C14 | C15 | C10 | 0.9° | 0.1° |
| C13 | C14 | C15 | H49 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 179.1° | 180.0° |
| C14 | C13 | C12 | H47 | 179.4° | 179.7° |
| O9 | C10 | C15 | C14 | 178.9° | 180.0° |
| O9 | C10 | C15 | C16 | 1.0° | 0.1° |
| C10 | O9 | C8 | H45 | 46.0° | 60.0° |
| C10 | O9 | C8 | H44 | 73.4° | 59.9° |
| O9 | C10 | C11 | H46 | 0.8° | 0.1° |
| C10 | C15 | C14 | C16 | 180.0° | 179.9° |
| C10 | C15 | C16 | N17 | 171.6° | 111.5° |
| C10 | C15 | C14 | H49 | 179.1° | 180.0° |
| C15 | C10 | C11 | H46 | 179.4° | 179.7° |
| C10 | C15 | C16 | H51 | 50.5° | 128.6° |
| C10 | C15 | C16 | H50 | 67.2° | 8.5° |
| C31 | C30 | N29 | H56 | 180.0° | 179.9° |
| C30 | C31 | N17 | C16 | 175.8° | 180.0° |
| C30 | C31 | N17 | C18 | 2.2° | 0.2° |
| C31 | C30 | N29 | C18 | 0.5° | 0.3° |
| C30 | C31 | C32 | H57 | 89.7° | 80.2° |
| C30 | C31 | C32 | H59 | 150.3° | 159.8° |
| C30 | C31 | C32 | H58 | 30.3° | 39.8° |
| C31 | N17 | C16 | C15 | 83.9° | 67.2° |
| N17 | C31 | C30 | N29 | 1.7° | 0.0° |
| C31 | N17 | C16 | C18 | 172.0° | 179.7° |
| C31 | N17 | C18 | N29 | 1.9° | 0.4° |
| C31 | N17 | C18 | C19 | 179.1° | 179.7° |
| C31 | N17 | C16 | H51 | 37.3° | 172.8° |
| C31 | N17 | C16 | H50 | 155.0° | 52.9° |
| N17 | C31 | C32 | H57 | 89.4° | 99.9° |
| N17 | C31 | C32 | H59 | 30.5° | 20.1° |
| N17 | C31 | C32 | H58 | 150.5° | 140.1° |
| N17 | C31 | C30 | H56 | 178.3° | 180.0° |
| C14 | C15 | C16 | N17 | 8.4° | 68.6° |
| C15 | C14 | C13 | H48 | 179.2° | 180.0° |
| C14 | C15 | C16 | H51 | 129.6° | 51.3° |
| C14 | C15 | C16 | H50 | 112.7° | 171.4° |
| C15 | C16 | N17 | H51 | 121.1° | 120.0° |
| C15 | C16 | N17 | H50 | 121.1° | 120.1° |
| C15 | C16 | N17 | C18 | 104.1° | 112.5° |
| C16 | C15 | C14 | H49 | 0.9° | 0.1° |
| C15 | C16 | H51 | H50 | 116.4° | 120.1° |
| C30 | N29 | C18 | N17 | 0.8° | 0.4° |
| C30 | N29 | C18 | C19 | 179.9° | 179.7° |
| C16 | N17 | C18 | N29 | 174.8° | 179.9° |
| C16 | N17 | C18 | C19 | 6.2° | 0.0° |
| N17 | C16 | H51 | H50 | 116.4° | 119.9° |
| N17 | C18 | N29 | C19 | 179.1° | 179.9° |
| N17 | C18 | C19 | C20 | 0.6° | 159.6° |
| N17 | C18 | C19 | C28 | 179.4° | 20.4° |
| C18 | N17 | C16 | H51 | 134.8° | 7.5° |
| C18 | N17 | C16 | H50 | 17.1° | 127.4° |
| N29 | C18 | C19 | C20 | 179.5° | 20.3° |
| N29 | C18 | C19 | C28 | 0.5° | 159.7° |
| C18 | N29 | C30 | H56 | 179.5° | 179.8° |
| C18 | C19 | C20 | C28 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C18 | C19 | C28 | C27 | 179.7° | 179.5° |
| C18 | C19 | C20 | H52 | 0.0° | 0.3° |
| C18 | C19 | C28 | H55 | 0.2° | 0.2° |
| C19 | C20 | C21 | H52 | 180.0° | 179.7° |
| C20 | C19 | C28 | C27 | 0.2° | 0.5° |
| C19 | C20 | C21 | C22 | 0.4° | 0.3° |
| C19 | C20 | C21 | H53 | 179.6° | 179.8° |
| C20 | C19 | C28 | H55 | 179.8° | 179.8° |
| C28 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C28 | C27 | H55 | 180.0° | 179.3° |
| C19 | C28 | C27 | C22 | 0.2° | 0.7° |
| C28 | C19 | C20 | H52 | 179.9° | 179.7° |
| C19 | C28 | C27 | H54 | 179.8° | 180.0° |
| C20 | C21 | C22 | H53 | 180.0° | 180.0° |
| C20 | C21 | C22 | C27 | 0.3° | 0.0° |
| C20 | C21 | C22 | C23 | 177.9° | 180.0° |
| C28 | C27 | C22 | C21 | 0.0° | 0.5° |
| C28 | C27 | C22 | H54 | 180.0° | 179.3° |
| C28 | C27 | C22 | C23 | 178.2° | 179.5° |
| C21 | C22 | C27 | C23 | 178.2° | 180.0° |
| C21 | C22 | C23 | F25 | 58.6° | 90.0° |
| C21 | C22 | C23 | F24 | 61.8° | 150.0° |
| C21 | C22 | C23 | F26 | 171.7° | 30.0° |
| C22 | C21 | C20 | H52 | 179.7° | 180.0° |
| C21 | C22 | C27 | H54 | 180.0° | 179.8° |
| C27 | C22 | C23 | F25 | 119.6° | 90.0° |
| C27 | C22 | C23 | F24 | 120.0° | 30.0° |
| C27 | C22 | C23 | F26 | 6.5° | 150.0° |
| C27 | C22 | C21 | H53 | 179.7° | 180.0° |
| C22 | C27 | C28 | H55 | 179.8° | 180.0° |
| C22 | C23 | F25 | F24 | 119.4° | 120.0° |
| C22 | C23 | F25 | F26 | 118.3° | 120.0° |
| C22 | C23 | F24 | F26 | 125.3° | 120.0° |
| C23 | C22 | C21 | H53 | 2.1° | 0.0° |
| C23 | C22 | C27 | H54 | 1.8° | 0.2° |
| F25 | C23 | F24 | F26 | 116.3° | 120.1° |
| H34 | C4 | C5 | H38 | 63.6° | 180.0° |
| H34 | C4 | C5 | H37 | 176.4° | 60.0° |
| H34 | C4 | C5 | H39 | 56.4° | 60.0° |
| H34 | C4 | C6 | H41 | 71.5° | 65.0° |
| H34 | C4 | C6 | H40 | 169.4° | 175.0° |
| H34 | C4 | C3 | H36 | 160.9° | 175.0° |
| H34 | C4 | C3 | H35 | 79.6° | 65.0° |
| H38 | C5 | H37 | H39 | 120.0° | 120.1° |
| H41 | C6 | C7 | H42 | 78.5° | 180.0° |
| H41 | C6 | C7 | H43 | 161.8° | 60.0° |
| H40 | C6 | C7 | H42 | 162.4° | 60.0° |
| H40 | C6 | C7 | H43 | 42.7° | 180.0° |
| H42 | C7 | C8 | H45 | 56.1° | NaN° |
| H42 | C7 | C8 | H44 | 63.4° | 60.0° |
| H43 | C7 | C8 | H45 | 63.6° | 60.0° |
| H43 | C7 | C8 | H44 | 177.0° | 180.0° |
| H48 | C13 | C14 | H49 | 0.8° | 0.1° |
| H48 | C13 | C12 | H47 | 0.6° | 0.1° |
| H52 | C20 | C21 | H53 | 0.3° | 0.0° |
| H55 | C28 | C27 | H54 | 0.2° | 0.7° |
| H47 | C12 | C11 | H46 | 0.5° | 0.0° |
| H57 | C32 | H59 | H58 | 120.0° | 120.0° |
