YW4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C14 | sing | 1.35Å | 1.39Å | |
| O33 | C14 | doub | 1.22Å | 1.24Å | |
| C14 | C13 | sing | 1.48Å | 1.48Å | |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| O32 | C15 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C30 | C15 | sing | 1.53Å | 1.52Å | |
| C5 | C9 | sing | 1.47Å | 1.47Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C15 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C31 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.44Å | Aromatic |
| C29 | C25 | sing | 1.51Å | 1.45Å | |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N7 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C24 | sing | 1.48Å | 1.43Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.42Å | 1.45Å | Aromatic |
| C25 | N26 | doub | 1.30Å | 1.33Å | Aromatic |
| N7 | C16 | sing | 1.46Å | 1.46Å | |
| C24 | C23 | doub | 1.37Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N26 | O27 | sing | 1.21Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | O27 | sing | 1.34Å | 1.38Å | Aromatic |
| C23 | C28 | sing | 1.51Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H42 | sing | 1.08Å | 1.08Å | |
| C16 | H40 | sing | 1.09Å | 1.10Å | |
| C16 | H41 | sing | 1.09Å | 1.10Å | |
| C19 | H43 | sing | 1.08Å | 1.08Å | |
| C20 | H44 | sing | 1.08Å | 1.08Å | |
| C21 | H45 | sing | 1.08Å | 1.08Å | |
| C22 | H46 | sing | 1.08Å | 1.08Å | |
| C12 | H39 | sing | 1.08Å | 1.08Å | |
| C1 | H35 | sing | 1.08Å | 1.08Å | |
| C3 | H36 | sing | 1.08Å | 1.08Å | |
| C6 | H37 | sing | 1.08Å | 1.08Å | |
| C10 | H38 | sing | 1.08Å | 1.08Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| O32 | H59 | sing | 0.97Å | 0.95Å | |
| N34 | H61 | sing | 0.97Å | 1.00Å | |
| N34 | H60 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N34 | C14 | O33 | 121.6° | 120.0° |
| N34 | C14 | C13 | 117.1° | 120.0° |
| C14 | N34 | H61 | 120.0° | 120.0° |
| C14 | N34 | H60 | 120.0° | 120.0° |
| O33 | C14 | C13 | 121.3° | 120.0° |
| C14 | C13 | C12 | 118.9° | 120.2° |
| C14 | C13 | C9 | 120.6° | 120.2° |
| C1 | C6 | C5 | 119.1° | 119.7° |
| C6 | C1 | C2 | 121.5° | 120.3° |
| C6 | C1 | H35 | 119.3° | 119.9° |
| C1 | C6 | H37 | 120.4° | 120.1° |
| C6 | C5 | C9 | 135.0° | 133.5° |
| C6 | C5 | C4 | 118.6° | 120.0° |
| C5 | C6 | H37 | 120.5° | 120.1° |
| C1 | C2 | C15 | 121.7° | 119.7° |
| C1 | C2 | C3 | 119.0° | 120.5° |
| C2 | C1 | H35 | 119.3° | 119.8° |
| O32 | C15 | C30 | 109.7° | 109.5° |
| O32 | C15 | C2 | 106.9° | 109.5° |
| O32 | C15 | C31 | 106.5° | 109.5° |
| C15 | O32 | H59 | 109.5° | 114.0° |
| C12 | C13 | C9 | 119.8° | 119.6° |
| C13 | C12 | C11 | 119.4° | 119.9° |
| C13 | C12 | H39 | 120.3° | 120.0° |
| C13 | C9 | C5 | 135.2° | 133.4° |
| C13 | C9 | C8 | 118.6° | 120.1° |
| C30 | C15 | C2 | 106.5° | 109.4° |
| C30 | C15 | C31 | 110.6° | 109.5° |
| C15 | C30 | H55 | 109.5° | 109.5° |
| C15 | C30 | H53 | 109.5° | 109.4° |
| C15 | C30 | H54 | 109.5° | 109.5° |
| C9 | C5 | C4 | 106.3° | 106.5° |
| C5 | C9 | C8 | 106.2° | 106.6° |
| C5 | C4 | C3 | 121.8° | 119.3° |
| C5 | C4 | N7 | 109.8° | 108.4° |
| C15 | C2 | C3 | 119.2° | 119.7° |
| C2 | C15 | C31 | 116.4° | 109.4° |
| C2 | C3 | C4 | 120.0° | 120.1° |
| C2 | C3 | H36 | 120.0° | 119.9° |
| C15 | C31 | H56 | 109.5° | 109.5° |
| C15 | C31 | H57 | 109.4° | 109.4° |
| C15 | C31 | H58 | 109.5° | 109.5° |
| C12 | C11 | C24 | 119.8° | 119.7° |
| C12 | C11 | C10 | 122.6° | 120.5° |
| C11 | C12 | H39 | 120.3° | 120.1° |
| C9 | C8 | N7 | 109.3° | 108.3° |
| C9 | C8 | C10 | 122.1° | 119.6° |
| C29 | C25 | C24 | 126.9° | 126.8° |
| C29 | C25 | N26 | 124.2° | 126.9° |
| C25 | C29 | H50 | 109.5° | 109.4° |
| C25 | C29 | H52 | 109.5° | 109.4° |
| C25 | C29 | H51 | 109.5° | 109.5° |
| C3 | C4 | N7 | 128.3° | 132.3° |
| C4 | C3 | H36 | 120.0° | 120.0° |
| C4 | N7 | C8 | 108.3° | 110.2° |
| C4 | N7 | C16 | 127.3° | 124.9° |
| C24 | C11 | C10 | 117.4° | 119.8° |
| C11 | C24 | C25 | 126.9° | 128.2° |
| C11 | C24 | C23 | 128.0° | 128.2° |
| C11 | C10 | C8 | 117.4° | 120.2° |
| C11 | C10 | H38 | 121.3° | 119.8° |
| N7 | C8 | C10 | 128.5° | 132.1° |
| C8 | N7 | C16 | 124.4° | 124.9° |
| C8 | C10 | H38 | 121.3° | 119.9° |
| C24 | C25 | N26 | 108.8° | 106.3° |
| C25 | C24 | C23 | 105.0° | 103.6° |
| C25 | N26 | O27 | 108.5° | 112.0° |
| N7 | C16 | C17 | 113.4° | 109.5° |
| N7 | C16 | H40 | 108.5° | 109.5° |
| N7 | C16 | H41 | 108.5° | 109.5° |
| C24 | C23 | O27 | 108.0° | 106.3° |
| C24 | C23 | C28 | 134.0° | 126.8° |
| C21 | C22 | C17 | 120.5° | 120.0° |
| C22 | C21 | C20 | 120.5° | 120.0° |
| C22 | C21 | H45 | 119.8° | 120.0° |
| C21 | C22 | H46 | 119.8° | 120.0° |
| C22 | C17 | C16 | 122.3° | 120.0° |
| C22 | C17 | C18 | 118.6° | 120.0° |
| C17 | C22 | H46 | 119.7° | 120.0° |
| N26 | O27 | C23 | 109.6° | 111.9° |
| C21 | C20 | C19 | 119.4° | 120.0° |
| C21 | C20 | H44 | 120.3° | 120.0° |
| C20 | C21 | H45 | 119.8° | 120.0° |
| O27 | C23 | C28 | 117.9° | 126.9° |
| C23 | C28 | H49 | 109.5° | 109.4° |
| C23 | C28 | H47 | 109.5° | 109.5° |
| C23 | C28 | H48 | 109.5° | 109.5° |
| C16 | C17 | C18 | 118.9° | 120.0° |
| C17 | C16 | H40 | 108.5° | 109.5° |
| C17 | C16 | H41 | 108.5° | 109.4° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H42 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.9° | 120.0° |
| C20 | C19 | H43 | 119.5° | 120.0° |
| C19 | C20 | H44 | 120.3° | 120.0° |
| C19 | C18 | H42 | 120.0° | 120.0° |
| C18 | C19 | H43 | 119.5° | 120.0° |
| H40 | C16 | H41 | 109.5° | 109.5° |
| H49 | C28 | H47 | 109.5° | 109.4° |
| H49 | C28 | H48 | 109.5° | 109.4° |
| H47 | C28 | H48 | 109.5° | 109.6° |
| H50 | C29 | H52 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.4° | 109.4° |
| H52 | C29 | H51 | 109.4° | 109.5° |
| H55 | C30 | H53 | 109.4° | 109.4° |
| H55 | C30 | H54 | 109.5° | 109.5° |
| H53 | C30 | H54 | 109.4° | 109.5° |
| H56 | C31 | H57 | 109.5° | 109.5° |
| H56 | C31 | H58 | 109.5° | 109.5° |
| H57 | C31 | H58 | 109.5° | 109.4° |
| H61 | N34 | H60 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N34 | C14 | O33 | C13 | 178.0° | 180.0° |
| N34 | C14 | C13 | C12 | 54.8° | 38.7° |
| N34 | C14 | C13 | C9 | 134.8° | 141.1° |
| C14 | N34 | H61 | H60 | 180.0° | 179.9° |
| O33 | C14 | C13 | C12 | 123.4° | 141.3° |
| O33 | C14 | C13 | C9 | 47.0° | 39.0° |
| O33 | C14 | N34 | H61 | 0.0° | 180.0° |
| O33 | C14 | N34 | H60 | 180.0° | 0.1° |
| C14 | C13 | C12 | C9 | 170.4° | 179.8° |
| C14 | C13 | C9 | C5 | 12.0° | 0.2° |
| C14 | C13 | C12 | C11 | 166.8° | 179.7° |
| C14 | C13 | C9 | C8 | 166.9° | 179.7° |
| C14 | C13 | C12 | H39 | 13.2° | 0.3° |
| C13 | C14 | N34 | H61 | 178.1° | 0.0° |
| C13 | C14 | N34 | H60 | 1.9° | 179.9° |
| C1 | C6 | C5 | H37 | 180.0° | 180.0° |
| C6 | C1 | C2 | H35 | 180.0° | 180.0° |
| C1 | C6 | C5 | C9 | 177.4° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | C1 | C2 | C15 | 175.4° | 179.9° |
| C6 | C1 | C2 | C3 | 1.0° | 0.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C9 | C13 | 0.5° | 0.1° |
| C6 | C5 | C9 | C4 | 178.2° | 179.9° |
| C6 | C5 | C9 | C8 | 178.5° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C6 | C5 | C4 | N7 | 177.9° | 180.0° |
| C5 | C6 | C1 | H35 | 179.9° | 180.0° |
| C1 | C2 | C15 | O32 | 56.1° | 149.9° |
| C1 | C2 | C15 | C30 | 61.2° | 90.0° |
| C1 | C2 | C15 | C3 | 176.4° | 179.9° |
| C1 | C2 | C15 | C31 | 175.0° | 30.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C1 | C2 | C3 | H36 | 178.8° | 180.0° |
| C2 | C1 | C6 | H37 | 179.9° | 180.0° |
| O32 | C15 | C30 | C2 | 115.4° | 120.0° |
| O32 | C15 | C30 | C31 | 117.2° | 120.1° |
| O32 | C15 | C2 | C31 | 118.9° | 120.0° |
| O32 | C15 | C2 | C3 | 127.6° | 30.0° |
| O32 | C15 | C30 | H55 | 180.0° | 60.0° |
| O32 | C15 | C30 | H53 | 60.0° | 60.0° |
| O32 | C15 | C30 | H54 | 60.0° | 180.0° |
| O32 | C15 | C31 | H56 | 180.0° | 60.0° |
| O32 | C15 | C31 | H57 | 60.0° | 60.1° |
| O32 | C15 | C31 | H58 | 60.0° | 180.0° |
| C12 | C13 | C9 | C5 | 177.7° | 180.0° |
| C13 | C12 | C11 | H39 | 180.0° | 180.0° |
| C12 | C13 | C9 | C8 | 3.4° | 0.1° |
| C13 | C12 | C11 | C24 | 172.7° | 180.0° |
| C13 | C12 | C11 | C10 | 2.0° | 0.0° |
| C13 | C9 | C5 | C8 | 179.0° | 179.9° |
| C13 | C9 | C5 | C4 | 178.7° | 180.0° |
| C9 | C13 | C12 | C11 | 3.6° | 0.0° |
| C13 | C9 | C8 | N7 | 178.0° | 180.0° |
| C13 | C9 | C8 | C10 | 1.6° | 0.1° |
| C9 | C13 | C12 | H39 | 176.4° | 180.0° |
| C30 | C15 | C2 | C31 | 123.9° | 120.0° |
| C30 | C15 | C2 | C3 | 115.2° | 90.1° |
| C15 | C30 | H55 | H53 | 120.0° | 120.0° |
| C15 | C30 | H55 | H54 | 120.1° | 120.0° |
| C15 | C30 | H53 | H54 | 120.0° | 120.0° |
| C30 | C15 | C31 | H56 | 60.9° | 180.0° |
| C30 | C15 | C31 | H57 | 59.1° | 60.0° |
| C30 | C15 | C31 | H58 | 179.1° | 59.9° |
| C30 | C15 | O32 | H59 | 180.0° | 60.0° |
| C9 | C5 | C4 | C3 | 178.1° | 180.0° |
| C9 | C5 | C4 | N7 | 0.7° | 0.1° |
| C5 | C9 | C8 | N7 | 1.2° | 0.0° |
| C5 | C9 | C8 | C10 | 179.2° | 180.0° |
| C9 | C5 | C6 | H37 | 2.6° | 0.1° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C4 | C5 | C9 | C8 | 0.3° | 0.1° |
| C5 | C4 | C3 | N7 | 176.9° | 180.0° |
| C5 | C4 | N7 | C8 | 1.4° | 0.0° |
| C5 | C4 | N7 | C16 | 176.9° | 180.0° |
| C5 | C4 | C3 | H36 | 179.5° | 180.0° |
| C4 | C5 | C6 | H37 | 179.4° | 180.0° |
| C15 | C2 | C3 | C4 | 175.3° | 179.9° |
| C15 | C2 | C1 | H35 | 4.6° | 0.1° |
| C15 | C2 | C3 | H36 | 4.7° | 0.1° |
| C2 | C15 | C30 | H55 | 64.6° | 180.0° |
| C2 | C15 | C30 | H53 | 55.4° | 60.0° |
| C2 | C15 | C30 | H54 | 175.4° | 59.9° |
| C2 | C15 | C31 | H56 | 60.9° | 60.0° |
| C2 | C15 | C31 | H57 | 179.1° | 180.0° |
| C2 | C15 | C31 | H58 | 59.1° | 60.0° |
| C2 | C15 | O32 | H59 | 64.9° | 180.0° |
| C3 | C2 | C15 | C31 | 8.6° | 150.0° |
| C2 | C3 | C4 | H36 | 180.0° | 180.0° |
| C2 | C3 | C4 | N7 | 176.5° | 180.0° |
| C3 | C2 | C1 | H35 | 179.0° | 180.0° |
| C31 | C15 | C30 | H55 | 62.8° | 60.1° |
| C31 | C15 | C30 | H53 | 177.2° | 180.0° |
| C31 | C15 | C30 | H54 | 57.2° | 60.0° |
| C15 | C31 | H56 | H57 | 120.0° | 120.0° |
| C15 | C31 | H56 | H58 | 120.0° | 120.1° |
| C15 | C31 | H57 | H58 | 120.0° | 120.0° |
| C31 | C15 | O32 | H59 | 60.3° | 60.1° |
| C12 | C11 | C24 | C10 | 175.0° | 180.0° |
| C12 | C11 | C10 | C8 | 0.2° | 0.1° |
| C12 | C11 | C24 | C25 | 64.1° | 115.1° |
| C12 | C11 | C24 | C23 | 118.7° | 65.0° |
| C12 | C11 | C10 | H38 | 179.8° | 180.0° |
| C9 | C8 | N7 | C4 | 1.6° | 0.0° |
| C9 | C8 | C10 | C11 | 0.0° | 0.1° |
| C9 | C8 | N7 | C10 | 179.6° | 179.9° |
| C9 | C8 | N7 | C16 | 176.7° | 180.0° |
| C9 | C8 | C10 | H38 | 180.0° | 179.9° |
| C29 | C25 | C24 | C11 | 3.2° | 0.1° |
| C29 | C25 | C24 | N26 | 179.2° | 179.9° |
| C29 | C25 | C24 | C23 | 179.1° | 179.9° |
| C29 | C25 | N26 | O27 | 178.6° | 179.9° |
| C25 | C29 | H50 | H52 | 120.0° | 119.9° |
| C25 | C29 | H50 | H51 | 120.0° | 120.0° |
| C25 | C29 | H52 | H51 | 120.0° | 120.1° |
| C3 | C4 | N7 | C8 | 178.6° | 180.0° |
| C3 | C4 | N7 | C16 | 0.3° | 0.0° |
| C4 | N7 | C8 | C16 | 178.3° | 180.0° |
| C4 | N7 | C8 | C10 | 178.8° | 179.9° |
| C4 | N7 | C16 | C17 | 100.2° | 90.0° |
| C4 | N7 | C16 | H40 | 139.3° | 30.0° |
| C4 | N7 | C16 | H41 | 20.4° | 150.0° |
| N7 | C4 | C3 | H36 | 3.6° | 0.0° |
| C24 | C11 | C10 | C8 | 174.6° | 180.0° |
| C11 | C24 | C25 | C23 | 177.7° | 179.9° |
| C11 | C24 | C25 | N26 | 177.6° | 180.0° |
| C11 | C24 | C23 | O27 | 178.1° | 179.9° |
| C11 | C24 | C23 | C28 | 1.5° | 0.2° |
| C24 | C11 | C12 | H39 | 7.3° | 0.0° |
| C24 | C11 | C10 | H38 | 5.4° | 0.0° |
| C11 | C10 | C8 | N7 | 179.5° | 180.0° |
| C11 | C10 | C8 | H38 | 180.0° | 180.0° |
| C10 | C11 | C24 | C25 | 120.9° | 64.9° |
| C10 | C11 | C24 | C23 | 56.3° | 115.0° |
| C10 | C11 | C12 | H39 | 178.0° | 180.0° |
| C8 | N7 | C16 | C17 | 81.8° | 90.0° |
| C8 | N7 | C16 | H40 | 38.7° | 150.1° |
| C8 | N7 | C16 | H41 | 157.6° | 30.0° |
| N7 | C8 | C10 | H38 | 0.4° | 0.0° |
| C10 | C8 | N7 | C16 | 2.9° | 0.0° |
| C24 | C25 | N26 | O27 | 0.6° | 0.0° |
| C25 | C24 | C23 | O27 | 0.4° | 0.0° |
| C25 | C24 | C23 | C28 | 176.2° | 179.7° |
| C24 | C25 | C29 | H50 | 179.1° | 90.0° |
| C24 | C25 | C29 | H52 | 60.9° | 150.0° |
| C24 | C25 | C29 | H51 | 59.1° | 30.0° |
| N26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C25 | N26 | O27 | C23 | 0.9° | 0.0° |
| N26 | C25 | C29 | H50 | 0.0° | 90.1° |
| N26 | C25 | C29 | H52 | 120.0° | 29.9° |
| N26 | C25 | C29 | H51 | 120.0° | 149.9° |
| N7 | C16 | C17 | C22 | 21.0° | 90.0° |
| N7 | C16 | C17 | H40 | 120.6° | 120.0° |
| N7 | C16 | C17 | H41 | 120.6° | 120.0° |
| N7 | C16 | C17 | C18 | 163.3° | 90.0° |
| N7 | C16 | H40 | H41 | 118.2° | 120.0° |
| C24 | C23 | O27 | N26 | 0.8° | 0.0° |
| C24 | C23 | O27 | C28 | 177.3° | 179.7° |
| C24 | C23 | C28 | H49 | 176.4° | 179.7° |
| C24 | C23 | C28 | H47 | 63.6° | 59.8° |
| C24 | C23 | C28 | H48 | 56.4° | 60.4° |
| C21 | C22 | C17 | H46 | 180.0° | 179.2° |
| C22 | C21 | C20 | H45 | 180.0° | 179.4° |
| C21 | C22 | C17 | C16 | 173.4° | 179.5° |
| C21 | C22 | C17 | C18 | 2.3° | 0.5° |
| C22 | C21 | C20 | C19 | 0.9° | 0.5° |
| C22 | C21 | C20 | H44 | 179.1° | 179.4° |
| C17 | C22 | C21 | C20 | 0.8° | 0.8° |
| C22 | C17 | C16 | C18 | 175.7° | 180.0° |
| C22 | C17 | C18 | C19 | 2.1° | NaN° |
| C22 | C17 | C18 | H42 | 177.9° | 179.7° |
| C22 | C17 | C16 | H40 | 141.6° | 30.0° |
| C22 | C17 | C16 | H41 | 99.6° | 150.0° |
| C17 | C22 | C21 | H45 | 179.2° | 179.8° |
| N26 | O27 | C23 | C28 | 176.4° | 179.7° |
| C21 | C20 | C19 | H44 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.1° | 0.0° |
| C21 | C20 | C19 | H43 | 178.9° | 180.0° |
| C20 | C21 | C22 | H46 | 179.2° | 179.9° |
| O27 | C23 | C28 | H49 | 0.0° | 0.0° |
| O27 | C23 | C28 | H47 | 120.0° | 119.9° |
| O27 | C23 | C28 | H48 | 120.0° | 120.0° |
| C23 | C28 | H49 | H47 | 120.0° | 119.9° |
| C23 | C28 | H49 | H48 | 120.0° | 120.0° |
| C23 | C28 | H47 | H48 | 120.0° | 120.1° |
| C16 | C17 | C18 | C19 | 173.7° | 180.0° |
| C16 | C17 | C18 | H42 | 6.2° | 0.3° |
| C17 | C16 | H40 | H41 | 118.2° | 120.0° |
| C16 | C17 | C22 | H46 | 6.6° | 0.2° |
| C17 | C18 | C19 | C20 | 0.5° | 0.3° |
| C17 | C18 | C19 | H42 | 180.0° | 179.7° |
| C18 | C17 | C16 | H40 | 42.7° | 150.0° |
| C18 | C17 | C16 | H41 | 76.1° | 30.0° |
| C17 | C18 | C19 | H43 | 179.6° | 179.7° |
| C18 | C17 | C22 | H46 | 177.7° | 179.8° |
| C20 | C19 | C18 | H43 | 180.0° | 180.0° |
| C20 | C19 | C18 | H42 | 179.5° | 180.0° |
| C19 | C20 | C21 | H45 | 179.1° | 180.0° |
| C18 | C19 | C20 | H44 | 179.0° | 180.0° |
| H42 | C18 | C19 | H43 | 0.4° | 0.0° |
| H43 | C19 | C20 | H44 | 1.1° | 0.0° |
| H44 | C20 | C21 | H45 | 0.9° | 0.0° |
| H45 | C21 | C22 | H46 | 0.8° | 0.5° |
| H35 | C1 | C6 | H37 | 0.1° | 0.0° |
| H49 | C28 | H47 | H48 | 120.0° | 120.0° |
| H50 | C29 | H52 | H51 | 120.0° | 120.0° |
| H55 | C30 | H53 | H54 | 120.0° | 120.0° |
| H56 | C31 | H57 | H58 | 120.0° | 120.0° |
