XKX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C1 | C3 | sing | 1.47Å | 1.42Å | Aromatic |
| C1 | C5 | sing | 1.47Å | 1.38Å | |
| N2 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| N2 | C4 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | C11 | sing | 1.46Å | 1.48Å | |
| C3 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.40Å | |
| C5 | O16 | doub | 1.22Å | 1.21Å | |
| C6 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C18 | sing | 1.47Å | 1.48Å | |
| N7 | C17 | sing | 1.47Å | 1.48Å | |
| C8 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C11 | sing | 1.51Å | 1.52Å | |
| C9 | N15 | sing | 1.35Å | 1.44Å | |
| C9 | O19 | doub | 1.21Å | 1.22Å | |
| C10 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | CL24 | sing | 1.74Å | 1.76Å | |
| C13 | C27 | sing | 1.51Å | 1.49Å | |
| C14 | C20 | sing | 1.51Å | 1.53Å | |
| C14 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| N15 | C28 | sing | 1.47Å | 1.47Å | |
| N15 | C29 | sing | 1.46Å | 1.47Å | |
| C17 | C23 | sing | 1.53Å | 1.53Å | |
| C18 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C30 | sing | 1.39Å | 1.44Å | Aromatic |
| C21 | O25 | sing | 1.36Å | 1.37Å | |
| O25 | C31 | sing | 1.43Å | 1.43Å | |
| C26 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H36 | sing | 1.08Å | 1.08Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.08Å | 1.08Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H54 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.08Å | 1.08Å | |
| C8 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H57 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.08Å | 1.08Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.08Å | 1.08Å | |
| C33 | H63 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C3 | 111.7° | 106.5° |
| C4 | C1 | C5 | 123.8° | 126.8° |
| C1 | C4 | N2 | 108.8° | 109.8° |
| C1 | C4 | H34 | 125.6° | 125.1° |
| C3 | C1 | C5 | 124.5° | 126.8° |
| C1 | C3 | C10 | 134.9° | 134.0° |
| C1 | C3 | C6 | 103.2° | 105.9° |
| C1 | C5 | N7 | 119.0° | 120.0° |
| C1 | C5 | O16 | 118.4° | 120.0° |
| C6 | N2 | C4 | 108.0° | 110.4° |
| C6 | N2 | C11 | 129.0° | 124.8° |
| N2 | C6 | C3 | 108.3° | 107.5° |
| N2 | C6 | C8 | 130.4° | 133.2° |
| C4 | N2 | C11 | 123.0° | 124.8° |
| N2 | C4 | H34 | 125.6° | 125.1° |
| N2 | C11 | C9 | 114.4° | 109.5° |
| N2 | C11 | H37 | 108.2° | 109.5° |
| N2 | C11 | H38 | 108.2° | 109.5° |
| C10 | C3 | C6 | 121.9° | 120.1° |
| C3 | C10 | C13 | 116.4° | 119.7° |
| C3 | C10 | H36 | 121.8° | 120.1° |
| C3 | C6 | C8 | 121.2° | 119.4° |
| N7 | C5 | O16 | 122.2° | 120.0° |
| C5 | N7 | C18 | 125.1° | 120.6° |
| C5 | N7 | C17 | 117.5° | 120.6° |
| C6 | C8 | C12 | 115.9° | 119.9° |
| C6 | C8 | H35 | 122.1° | 120.0° |
| C18 | N7 | C17 | 117.2° | 118.8° |
| N7 | C18 | C22 | 112.0° | 108.8° |
| N7 | C18 | H42 | 108.8° | 109.6° |
| N7 | C18 | H41 | 108.8° | 109.7° |
| N7 | C17 | C23 | 111.3° | 108.8° |
| N7 | C17 | H39 | 109.0° | 109.6° |
| N7 | C17 | H40 | 109.0° | 109.7° |
| C8 | C12 | C13 | 125.6° | 120.6° |
| C8 | C12 | CL24 | 113.6° | 119.7° |
| C12 | C8 | H35 | 122.0° | 120.1° |
| C11 | C9 | N15 | 118.1° | 120.0° |
| C11 | C9 | O19 | 119.3° | 120.0° |
| C9 | C11 | H37 | 108.2° | 109.4° |
| C9 | C11 | H38 | 108.3° | 109.5° |
| N15 | C9 | O19 | 122.6° | 120.0° |
| C9 | N15 | C28 | 121.4° | 120.0° |
| C9 | N15 | C29 | 124.3° | 120.0° |
| C10 | C13 | C12 | 118.9° | 120.3° |
| C10 | C13 | C27 | 123.1° | 119.8° |
| C13 | C10 | H36 | 121.8° | 120.2° |
| C13 | C12 | CL24 | 120.7° | 119.7° |
| C12 | C13 | C27 | 118.0° | 119.8° |
| C13 | C27 | H49 | 109.5° | 109.5° |
| C13 | C27 | H50 | 109.5° | 109.5° |
| C13 | C27 | H51 | 109.4° | 109.4° |
| C20 | C14 | C21 | 120.0° | 120.0° |
| C20 | C14 | C26 | 123.2° | 120.0° |
| C14 | C20 | C22 | 112.3° | 109.5° |
| C14 | C20 | C23 | 111.4° | 109.5° |
| C14 | C20 | H43 | 107.8° | 109.4° |
| C21 | C14 | C26 | 116.8° | 119.9° |
| C14 | C21 | C30 | 121.4° | 119.9° |
| C14 | C21 | O25 | 112.8° | 120.1° |
| C14 | C26 | C32 | 123.0° | 120.1° |
| C14 | C26 | H48 | 118.5° | 119.9° |
| C28 | N15 | C29 | 114.3° | 120.0° |
| N15 | C28 | H52 | 109.5° | 109.5° |
| N15 | C28 | H53 | 109.5° | 109.5° |
| N15 | C28 | H54 | 109.4° | 109.5° |
| N15 | C29 | H55 | 109.5° | 109.5° |
| N15 | C29 | H57 | 109.5° | 109.5° |
| N15 | C29 | H56 | 109.5° | 109.5° |
| C17 | C23 | C20 | 110.2° | 109.3° |
| C23 | C17 | H39 | 109.0° | 109.6° |
| C23 | C17 | H40 | 109.0° | 109.5° |
| C17 | C23 | H46 | 109.3° | 109.5° |
| C17 | C23 | H47 | 109.3° | 109.5° |
| C18 | C22 | C20 | 109.5° | 109.3° |
| C22 | C18 | H42 | 108.8° | 109.6° |
| C22 | C18 | H41 | 108.8° | 109.6° |
| C18 | C22 | H45 | 109.4° | 109.5° |
| C18 | C22 | H44 | 109.5° | 109.5° |
| C22 | C20 | C23 | 109.4° | 109.6° |
| C22 | C20 | H43 | 107.9° | 109.4° |
| C20 | C22 | H45 | 109.4° | 109.5° |
| C20 | C22 | H44 | 109.4° | 109.5° |
| C23 | C20 | H43 | 107.9° | 109.4° |
| C20 | C23 | H46 | 109.3° | 109.5° |
| C20 | C23 | H47 | 109.3° | 109.5° |
| C30 | C21 | O25 | 125.8° | 120.1° |
| C21 | C30 | C33 | 120.6° | 119.9° |
| C21 | C30 | H58 | 119.6° | 120.0° |
| C21 | O25 | C31 | 116.1° | 117.0° |
| O25 | C31 | H61 | 109.5° | 109.5° |
| O25 | C31 | H59 | 109.5° | 109.5° |
| O25 | C31 | H60 | 109.5° | 109.4° |
| C26 | C32 | C33 | 119.0° | 120.1° |
| C32 | C26 | H48 | 118.5° | 120.0° |
| C26 | C32 | H62 | 120.5° | 120.0° |
| C30 | C33 | C32 | 119.2° | 120.1° |
| C33 | C30 | H58 | 119.7° | 120.0° |
| C30 | C33 | H63 | 120.4° | 119.9° |
| C33 | C32 | H62 | 120.5° | 119.9° |
| C32 | C33 | H63 | 120.4° | 120.0° |
| H37 | C11 | H38 | 109.5° | 109.5° |
| H39 | C17 | H40 | 109.5° | 109.6° |
| H42 | C18 | H41 | 109.5° | 109.6° |
| H45 | C22 | H44 | 109.5° | 109.5° |
| H46 | C23 | H47 | 109.5° | 109.5° |
| H49 | C27 | H50 | 109.5° | 109.5° |
| H49 | C27 | H51 | 109.5° | 109.5° |
| H50 | C27 | H51 | 109.5° | 109.4° |
| H52 | C28 | H53 | 109.5° | 109.5° |
| H52 | C28 | H54 | 109.5° | 109.4° |
| H53 | C28 | H54 | 109.5° | 109.5° |
| H55 | C29 | H57 | 109.5° | 109.5° |
| H55 | C29 | H56 | 109.5° | 109.4° |
| H57 | C29 | H56 | 109.5° | 109.5° |
| H61 | C31 | H59 | 109.5° | 109.5° |
| H61 | C31 | H60 | 109.5° | 109.4° |
| H59 | C31 | H60 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C3 | C5 | 179.8° | 180.0° |
| C1 | C4 | N2 | C6 | 1.5° | 0.0° |
| C1 | C4 | N2 | H34 | 180.0° | 180.0° |
| C1 | C4 | N2 | C11 | 177.3° | 180.0° |
| C4 | C1 | C3 | C10 | 180.0° | 180.0° |
| C4 | C1 | C3 | C6 | 0.8° | 0.0° |
| C4 | C1 | C5 | N7 | 129.1° | 49.8° |
| C4 | C1 | C5 | O16 | 44.2° | 130.2° |
| C1 | C3 | C6 | N2 | 0.2° | 0.0° |
| C3 | C1 | C4 | N2 | 1.5° | 0.0° |
| C1 | C3 | C10 | C6 | 179.1° | 180.0° |
| C3 | C1 | C5 | N7 | 51.1° | 130.2° |
| C3 | C1 | C5 | O16 | 135.6° | 49.8° |
| C1 | C3 | C6 | C8 | 178.0° | 180.0° |
| C1 | C3 | C10 | C13 | 179.1° | 180.0° |
| C1 | C3 | C10 | H36 | 0.9° | 0.2° |
| C3 | C1 | C4 | H34 | 178.5° | 180.0° |
| C5 | C1 | C4 | N2 | 178.7° | 180.0° |
| C5 | C1 | C3 | C10 | 0.2° | 0.1° |
| C5 | C1 | C3 | C6 | 179.4° | 180.0° |
| C1 | C5 | N7 | O16 | 173.1° | 180.0° |
| C1 | C5 | N7 | C18 | 19.1° | 4.3° |
| C1 | C5 | N7 | C17 | 166.5° | 175.7° |
| C5 | C1 | C4 | H34 | 1.3° | 0.0° |
| C6 | N2 | C4 | C11 | 178.9° | 179.9° |
| N2 | C6 | C3 | C10 | 179.2° | 180.0° |
| N2 | C6 | C3 | C8 | 177.8° | 180.0° |
| N2 | C6 | C8 | C12 | 179.7° | 179.8° |
| C6 | N2 | C11 | C9 | 84.3° | 85.0° |
| C6 | N2 | C11 | H37 | 155.0° | 155.0° |
| C6 | N2 | C11 | H38 | 36.5° | 35.0° |
| C6 | N2 | C4 | H34 | 178.4° | 180.0° |
| N2 | C6 | C8 | H35 | 0.3° | 0.1° |
| C4 | N2 | C6 | C3 | 1.0° | 0.0° |
| C4 | N2 | C6 | C8 | 178.6° | 180.0° |
| C4 | N2 | C11 | C9 | 97.1° | 94.9° |
| C4 | N2 | C11 | H37 | 23.6° | 25.0° |
| C4 | N2 | C11 | H38 | 142.1° | 145.0° |
| C11 | N2 | C6 | C3 | 177.7° | 180.0° |
| C11 | N2 | C6 | C8 | 0.2° | 0.1° |
| N2 | C11 | C9 | H37 | 120.7° | 120.0° |
| N2 | C11 | C9 | H38 | 120.7° | 120.0° |
| N2 | C11 | C9 | N15 | 177.1° | 180.0° |
| N2 | C11 | C9 | O19 | 1.3° | 0.0° |
| N2 | C11 | H37 | H38 | 117.7° | 120.0° |
| C11 | N2 | C4 | H34 | 2.7° | 0.1° |
| C10 | C3 | C6 | C8 | 1.4° | 0.0° |
| C3 | C10 | C13 | H36 | 180.0° | 179.8° |
| C3 | C10 | C13 | C12 | 0.1° | 0.2° |
| C3 | C10 | C13 | C27 | 178.7° | 179.7° |
| C3 | C6 | C8 | C12 | 2.4° | 0.2° |
| C6 | C3 | C10 | C13 | 0.0° | 0.0° |
| C6 | C3 | C10 | H36 | 180.0° | 179.8° |
| C3 | C6 | C8 | H35 | 177.6° | 179.9° |
| C5 | N7 | C18 | C17 | 174.4° | 180.0° |
| C5 | N7 | C17 | C23 | 137.7° | 126.4° |
| C5 | N7 | C18 | C22 | 137.8° | 126.4° |
| C5 | N7 | C17 | H39 | 102.1° | 6.6° |
| C5 | N7 | C17 | H40 | 17.4° | 113.8° |
| C5 | N7 | C18 | H42 | 17.4° | 113.8° |
| C5 | N7 | C18 | H41 | 101.8° | 6.5° |
| O16 | C5 | N7 | C18 | 154.0° | 175.7° |
| O16 | C5 | N7 | C17 | 20.4° | 4.3° |
| C6 | C8 | C12 | H35 | 180.0° | 179.9° |
| C6 | C8 | C12 | C13 | 2.4° | 0.4° |
| C6 | C8 | C12 | CL24 | 179.5° | 180.0° |
| C18 | N7 | C17 | C23 | 47.5° | 53.6° |
| N7 | C18 | C22 | H42 | 120.4° | 119.8° |
| N7 | C18 | C22 | H41 | 120.4° | 119.9° |
| N7 | C18 | C22 | C20 | 52.8° | 54.6° |
| C18 | N7 | C17 | H39 | 72.8° | 173.4° |
| C18 | N7 | C17 | H40 | 167.8° | 66.2° |
| N7 | C18 | H42 | H41 | 118.8° | 120.4° |
| N7 | C18 | C22 | H45 | 67.2° | 65.3° |
| N7 | C18 | C22 | H44 | 172.8° | 174.6° |
| N7 | C17 | C23 | H39 | 120.3° | 119.8° |
| N7 | C17 | C23 | H40 | 120.3° | 119.9° |
| C17 | N7 | C18 | C22 | 47.8° | 53.6° |
| N7 | C17 | C23 | C20 | 52.9° | 54.6° |
| N7 | C17 | H39 | H40 | 119.1° | 120.5° |
| C17 | N7 | C18 | H42 | 168.2° | 66.2° |
| C17 | N7 | C18 | H41 | 72.6° | 173.5° |
| N7 | C17 | C23 | H46 | 173.0° | 174.6° |
| N7 | C17 | C23 | H47 | 67.2° | 65.4° |
| C8 | C12 | C13 | C10 | 1.2° | 0.5° |
| C8 | C12 | C13 | CL24 | 176.9° | 179.6° |
| C8 | C12 | C13 | C27 | 180.0° | 179.5° |
| C11 | C9 | N15 | O19 | 178.3° | 180.0° |
| C11 | C9 | N15 | C28 | 179.2° | 180.0° |
| C11 | C9 | N15 | C29 | 1.9° | 0.0° |
| C9 | C11 | H37 | H38 | 117.8° | 120.0° |
| C9 | N15 | C28 | C29 | 179.0° | 180.0° |
| N15 | C9 | C11 | H37 | 62.2° | 60.0° |
| N15 | C9 | C11 | H38 | 56.3° | 60.0° |
| C9 | N15 | C28 | H52 | 180.0° | 90.0° |
| C9 | N15 | C28 | H53 | 60.0° | 150.0° |
| C9 | N15 | C28 | H54 | 60.0° | 30.0° |
| C9 | N15 | C29 | H55 | 180.0° | 60.0° |
| C9 | N15 | C29 | H57 | 60.0° | 180.0° |
| C9 | N15 | C29 | H56 | 60.0° | 60.0° |
| O19 | C9 | N15 | C28 | 0.9° | 0.0° |
| O19 | C9 | N15 | C29 | 179.8° | 180.0° |
| O19 | C9 | C11 | H37 | 119.4° | 120.0° |
| O19 | C9 | C11 | H38 | 122.0° | 120.0° |
| C10 | C13 | C12 | C27 | 178.8° | 180.0° |
| C10 | C13 | C12 | CL24 | 178.1° | 180.0° |
| C10 | C13 | C27 | H49 | 89.3° | 90.0° |
| C10 | C13 | C27 | H50 | 150.7° | 150.0° |
| C10 | C13 | C27 | H51 | 30.7° | 30.1° |
| C12 | C13 | C10 | H36 | 179.9° | 180.0° |
| C12 | C13 | C27 | H49 | 89.5° | 90.0° |
| C12 | C13 | C27 | H50 | 30.6° | 30.1° |
| C12 | C13 | C27 | H51 | 150.6° | 150.0° |
| C13 | C12 | C8 | H35 | 177.6° | 179.7° |
| CL24 | C12 | C13 | C27 | 3.1° | 0.1° |
| CL24 | C12 | C8 | H35 | 0.5° | 0.1° |
| C27 | C13 | C10 | H36 | 1.4° | 0.1° |
| C13 | C27 | H49 | H50 | 120.0° | 120.0° |
| C13 | C27 | H49 | H51 | 120.0° | 120.0° |
| C13 | C27 | H50 | H51 | 120.0° | 119.9° |
| C20 | C14 | C21 | C26 | 178.7° | 180.0° |
| C14 | C20 | C23 | C17 | 174.5° | 178.6° |
| C14 | C20 | C22 | C18 | 175.4° | 178.6° |
| C14 | C20 | C22 | C23 | 124.2° | 120.1° |
| C14 | C20 | C22 | H43 | 118.6° | 119.9° |
| C14 | C20 | C23 | H43 | 118.2° | 119.9° |
| C20 | C14 | C21 | C30 | 179.3° | 180.0° |
| C20 | C14 | C21 | O25 | 0.9° | 0.3° |
| C20 | C14 | C26 | C32 | 178.9° | 179.5° |
| C14 | C20 | C22 | H45 | 64.6° | 61.4° |
| C14 | C20 | C22 | H44 | 55.3° | 58.6° |
| C14 | C20 | C23 | H46 | 54.4° | 58.6° |
| C14 | C20 | C23 | H47 | 65.4° | 61.5° |
| C20 | C14 | C26 | H48 | 1.1° | 0.3° |
| C21 | C14 | C20 | C22 | 81.8° | 120.0° |
| C21 | C14 | C20 | C23 | 155.1° | 119.9° |
| C14 | C21 | C30 | O25 | 179.7° | 179.8° |
| C14 | C21 | O25 | C31 | 179.3° | 179.8° |
| C21 | C14 | C26 | C32 | 0.3° | 0.5° |
| C14 | C21 | C30 | C33 | 0.6° | 0.2° |
| C21 | C14 | C20 | H43 | 36.9° | 0.0° |
| C21 | C14 | C26 | H48 | 179.7° | 179.8° |
| C14 | C21 | C30 | H58 | 179.4° | 179.7° |
| C26 | C14 | C20 | C22 | 99.6° | 60.0° |
| C26 | C14 | C20 | C23 | 23.5° | 60.1° |
| C26 | C14 | C21 | C30 | 0.7° | 0.0° |
| C26 | C14 | C21 | O25 | 179.5° | 179.7° |
| C14 | C26 | C32 | H48 | 180.0° | 179.2° |
| C14 | C26 | C32 | C33 | 0.2° | 0.8° |
| C26 | C14 | C20 | H43 | 141.7° | 180.0° |
| C14 | C26 | C32 | H62 | 179.8° | 179.2° |
| N15 | C28 | H52 | H53 | 120.0° | 120.0° |
| N15 | C28 | H52 | H54 | 120.0° | 120.0° |
| N15 | C28 | H53 | H54 | 120.0° | 120.0° |
| C28 | N15 | C29 | H55 | 1.0° | 120.0° |
| C28 | N15 | C29 | H57 | 119.0° | 0.0° |
| C28 | N15 | C29 | H56 | 121.0° | 120.0° |
| C29 | N15 | C28 | H52 | 1.0° | 90.0° |
| C29 | N15 | C28 | H53 | 121.0° | 29.9° |
| C29 | N15 | C28 | H54 | 119.0° | 150.0° |
| N15 | C29 | H55 | H57 | 120.0° | 120.1° |
| N15 | C29 | H55 | H56 | 120.0° | 120.0° |
| N15 | C29 | H57 | H56 | 120.0° | 120.0° |
| C17 | C23 | C20 | C22 | 60.8° | 61.3° |
| C17 | C23 | C20 | H46 | 120.1° | 120.0° |
| C17 | C23 | C20 | H47 | 120.1° | 119.9° |
| C23 | C17 | H39 | H40 | 119.2° | 120.2° |
| C17 | C23 | C20 | H43 | 56.3° | 58.7° |
| C17 | C23 | H46 | H47 | 119.6° | 120.0° |
| C18 | C22 | C20 | H45 | 120.0° | 120.0° |
| C18 | C22 | C20 | H44 | 120.0° | 120.0° |
| C18 | C22 | C20 | C23 | 60.4° | 61.3° |
| C22 | C18 | H42 | H41 | 118.8° | 120.3° |
| C18 | C22 | C20 | H43 | 56.7° | 58.6° |
| C18 | C22 | H45 | H44 | 120.0° | 120.1° |
| C22 | C20 | C23 | H43 | 117.1° | 120.0° |
| C20 | C22 | C18 | H42 | 173.2° | 65.2° |
| C20 | C22 | C18 | H41 | 67.6° | 174.6° |
| C20 | C22 | H45 | H44 | 119.9° | 120.0° |
| C22 | C20 | C23 | H46 | 179.1° | 178.7° |
| C22 | C20 | C23 | H47 | 59.3° | 58.6° |
| C20 | C23 | C17 | H39 | 67.4° | 174.4° |
| C20 | C23 | C17 | H40 | 173.2° | 65.3° |
| C23 | C20 | C22 | H45 | 59.6° | 58.6° |
| C23 | C20 | C22 | H44 | 179.6° | 178.6° |
| C20 | C23 | H46 | H47 | 119.7° | 120.1° |
| C30 | C21 | O25 | C31 | 0.4° | 0.0° |
| C21 | C30 | C33 | H58 | 180.0° | 179.9° |
| C21 | C30 | C33 | C32 | 0.1° | 0.1° |
| C21 | C30 | C33 | H63 | 179.9° | 180.0° |
| O25 | C21 | C30 | C33 | 179.7° | 179.9° |
| O25 | C21 | C30 | H58 | 0.4° | 0.1° |
| C21 | O25 | C31 | H61 | 180.0° | 60.0° |
| C21 | O25 | C31 | H59 | 60.0° | 180.0° |
| C21 | O25 | C31 | H60 | 60.0° | 60.0° |
| O25 | C31 | H61 | H59 | 120.0° | 120.1° |
| O25 | C31 | H61 | H60 | 120.0° | 120.0° |
| O25 | C31 | H59 | H60 | 120.0° | 120.0° |
| C26 | C32 | C33 | C30 | 0.3° | 0.6° |
| C26 | C32 | C33 | H62 | 180.0° | 180.0° |
| C26 | C32 | C33 | H63 | 179.7° | 179.5° |
| C30 | C33 | C32 | H63 | 180.0° | 179.9° |
| C30 | C33 | C32 | H62 | 179.7° | 179.4° |
| C33 | C32 | C26 | H48 | 179.8° | 179.9° |
| C32 | C33 | C30 | H58 | 179.9° | 180.0° |
| H39 | C17 | C23 | H46 | 52.7° | 65.6° |
| H39 | C17 | C23 | H47 | 172.5° | 54.5° |
| H40 | C17 | C23 | H46 | 66.7° | 54.7° |
| H40 | C17 | C23 | H47 | 53.0° | 174.7° |
| H42 | C18 | C22 | H45 | 53.2° | 174.9° |
| H42 | C18 | C22 | H44 | 66.8° | 54.8° |
| H41 | C18 | C22 | H45 | 172.4° | 54.6° |
| H41 | C18 | C22 | H44 | 52.4° | 65.5° |
| H43 | C20 | C22 | H45 | 176.7° | 178.6° |
| H43 | C20 | C22 | H44 | 63.3° | 61.4° |
| H43 | C20 | C23 | H46 | 63.8° | 61.3° |
| H43 | C20 | C23 | H47 | 176.4° | 178.6° |
| H48 | C26 | C32 | H62 | 0.2° | 0.0° |
| H49 | C27 | H50 | H51 | 120.0° | 120.1° |
| H52 | C28 | H53 | H54 | 120.0° | 120.0° |
| H55 | C29 | H57 | H56 | 120.0° | 120.0° |
| H58 | C30 | C33 | H63 | 0.1° | 0.1° |
| H61 | C31 | H59 | H60 | 120.0° | 120.0° |
| H62 | C32 | C33 | H63 | 0.3° | 0.5° |
