MUI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | C46 | doub | 1.23Å | 1.23Å | |
| C46 | C47 | sing | 1.50Å | 1.49Å | |
| C46 | C40 | sing | 1.46Å | 1.50Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C47 | H472 | sing | 1.10Å | 1.10Å | |
| C47 | H473 | sing | 1.11Å | 1.10Å | |
| C40 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
| C41 | H41 | sing | 1.09Å | 1.08Å | |
| C42 | C43 | doub | 1.40Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.09Å | 1.08Å | |
| C45 | C44 | doub | 1.39Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.09Å | 1.08Å | |
| C44 | C43 | sing | 1.40Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.09Å | 1.08Å | |
| C43 | N24 | sing | 1.43Å | 1.41Å | |
| N24 | C25 | sing | 1.44Å | 1.45Å | |
| N24 | C26 | sing | 1.39Å | 1.32Å | |
| C26 | O27 | doub | 1.22Å | 1.22Å | |
| C26 | O28 | sing | 1.38Å | 1.44Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C25 | C29 | sing | 1.51Å | 1.54Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C29 | C21 | sing | 1.49Å | 1.50Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | O22 | doub | 1.23Å | 1.23Å | |
| C21 | N20 | sing | 1.38Å | 1.33Å | |
| N20 | C19 | sing | 1.45Å | 1.47Å | |
| N20 | HN20 | sing | 1.01Å | 1.00Å | |
| C19 | C32 | sing | 1.54Å | 1.54Å | |
| C19 | C17 | sing | 1.55Å | 1.53Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C32 | C38 | sing | 1.51Å | 1.52Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C38 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.09Å | 1.08Å | |
| C36 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.09Å | 1.08Å | |
| C35 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.09Å | 1.08Å | |
| C34 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.09Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C16 | N11 | sing | 1.48Å | 1.49Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N11 | S8 | sing | 1.73Å | 1.64Å | |
| N11 | C12 | sing | 1.49Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C15 | H153 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C14 | H143 | sing | 1.10Å | 1.10Å | |
| S8 | O9 | doub | 1.45Å | 1.44Å | |
| S8 | O10 | doub | 1.45Å | 1.43Å | |
| S8 | C5 | sing | 1.77Å | 1.62Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | O19 | sing | 1.36Å | 1.38Å | |
| O19 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | C46 | C47 | 121.4° | 117.5° |
| O45 | C46 | C40 | 120.5° | 125.0° |
| C47 | C46 | C40 | 118.1° | 117.5° |
| C46 | C47 | H471 | 109.5° | 113.8° |
| C46 | C47 | H472 | 109.4° | 113.3° |
| C46 | C47 | H473 | 109.5° | 113.2° |
| C46 | C40 | C41 | 120.4° | 120.0° |
| C46 | C40 | C45 | 120.2° | 120.0° |
| H471 | C47 | H472 | 109.5° | 107.5° |
| H471 | C47 | H473 | 109.5° | 103.9° |
| H472 | C47 | H473 | 109.5° | 104.3° |
| C41 | C40 | C45 | 119.4° | 120.0° |
| C40 | C41 | C42 | 120.9° | 120.0° |
| C40 | C41 | H41 | 119.6° | 120.6° |
| C40 | C45 | C44 | 120.1° | 120.0° |
| C40 | C45 | H45 | 120.0° | 120.7° |
| C42 | C41 | H41 | 119.5° | 119.4° |
| C41 | C42 | C43 | 120.2° | 120.2° |
| C41 | C42 | H42 | 119.9° | 119.3° |
| C43 | C42 | H42 | 119.9° | 120.4° |
| C42 | C43 | C44 | 118.8° | 119.5° |
| C42 | C43 | N24 | 118.8° | 120.2° |
| C44 | C45 | H45 | 119.9° | 119.3° |
| C45 | C44 | C43 | 120.6° | 120.2° |
| C45 | C44 | H44 | 119.7° | 119.3° |
| C43 | C44 | H44 | 119.7° | 120.4° |
| C44 | C43 | N24 | 122.2° | 120.2° |
| C43 | N24 | C25 | 120.9° | 122.5° |
| C43 | N24 | C26 | 126.0° | 127.5° |
| C25 | N24 | C26 | 112.9° | 109.9° |
| N24 | C25 | C29 | 102.0° | 103.5° |
| N24 | C25 | H251 | 112.0° | 108.9° |
| N24 | C25 | H252 | 113.6° | 110.3° |
| N24 | C26 | O27 | 129.1° | 129.5° |
| N24 | C26 | O28 | 109.0° | 109.4° |
| O27 | C26 | O28 | 121.8° | 121.2° |
| C26 | O28 | C29 | 107.9° | 109.3° |
| O28 | C29 | C25 | 104.9° | 105.6° |
| O28 | C29 | C21 | 115.1° | 107.4° |
| O28 | C29 | H29 | 107.7° | 109.1° |
| C29 | C25 | H251 | 112.0° | 113.2° |
| C29 | C25 | H252 | 113.6° | 111.8° |
| C25 | C29 | C21 | 105.8° | 112.9° |
| C25 | C29 | H29 | 116.8° | 112.6° |
| H251 | C25 | H252 | 103.9° | 109.0° |
| C21 | C29 | H29 | 106.9° | 108.9° |
| C29 | C21 | O22 | 118.8° | 119.5° |
| C29 | C21 | N20 | 116.5° | 113.9° |
| O22 | C21 | N20 | 124.7° | 126.6° |
| C21 | N20 | C19 | 123.9° | 123.0° |
| C21 | N20 | HN20 | 118.1° | 118.5° |
| C19 | N20 | HN20 | 118.1° | 118.5° |
| N20 | C19 | C32 | 101.9° | 108.8° |
| N20 | C19 | C17 | 114.4° | 110.7° |
| N20 | C19 | H19 | 113.2° | 105.6° |
| C32 | C19 | C17 | 114.5° | 113.6° |
| C32 | C19 | H19 | 113.1° | 109.4° |
| C19 | C32 | C38 | 109.4° | 113.9° |
| C19 | C32 | H321 | 109.5° | 110.3° |
| C19 | C32 | H322 | 109.5° | 109.5° |
| C17 | C19 | H19 | 100.2° | 108.5° |
| C19 | C17 | C16 | 110.7° | 112.4° |
| C19 | C17 | O18 | 111.2° | 109.2° |
| C19 | C17 | H17 | 107.4° | 109.1° |
| C38 | C32 | H321 | 109.5° | 110.1° |
| C38 | C32 | H322 | 109.5° | 107.7° |
| C32 | C38 | C37 | 120.6° | 119.4° |
| C32 | C38 | C33 | 120.6° | 119.4° |
| H321 | C32 | H322 | 109.4° | 104.8° |
| C37 | C38 | C33 | 118.9° | 121.2° |
| C38 | C37 | C36 | 120.0° | 119.4° |
| C38 | C37 | H37 | 120.0° | 121.2° |
| C38 | C33 | C34 | 120.9° | 119.3° |
| C38 | C33 | H33 | 119.5° | 121.2° |
| C36 | C37 | H37 | 120.0° | 119.4° |
| C37 | C36 | C35 | 120.9° | 120.0° |
| C37 | C36 | H36 | 119.6° | 120.0° |
| C35 | C36 | H36 | 119.5° | 120.0° |
| C36 | C35 | C34 | 119.4° | 120.0° |
| C36 | C35 | H35 | 120.3° | 120.0° |
| C34 | C35 | H35 | 120.3° | 120.0° |
| C35 | C34 | C33 | 119.8° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C34 | C33 | H33 | 119.6° | 119.5° |
| C16 | C17 | O18 | 109.5° | 109.4° |
| C16 | C17 | H17 | 109.2° | 109.4° |
| C17 | C16 | N11 | 109.6° | 109.8° |
| C17 | C16 | H161 | 109.5° | 111.6° |
| C17 | C16 | H162 | 109.4° | 111.0° |
| O18 | C17 | H17 | 108.7° | 107.3° |
| C17 | O18 | HO18 | 109.5° | 106.5° |
| N11 | C16 | H161 | 109.4° | 107.6° |
| N11 | C16 | H162 | 109.4° | 107.6° |
| C16 | N11 | S8 | 115.5° | 117.9° |
| C16 | N11 | C12 | 112.7° | 112.1° |
| H161 | C16 | H162 | 109.6° | 109.0° |
| S8 | N11 | C12 | 111.9° | 117.6° |
| N11 | S8 | O9 | 104.1° | 109.6° |
| N11 | S8 | O10 | 108.6° | 109.3° |
| N11 | S8 | C5 | 112.5° | 102.6° |
| N11 | C12 | C13 | 111.3° | 111.8° |
| N11 | C12 | H121 | 108.9° | 108.5° |
| N11 | C12 | H122 | 108.5° | 108.1° |
| C13 | C12 | H121 | 108.9° | 110.6° |
| C13 | C12 | H122 | 108.5° | 110.1° |
| C12 | C13 | C14 | 112.8° | 112.0° |
| C12 | C13 | C15 | 110.0° | 112.3° |
| C12 | C13 | H13 | 107.1° | 107.0° |
| H121 | C12 | H122 | 110.8° | 107.7° |
| C14 | C13 | C15 | 110.5° | 110.6° |
| C14 | C13 | H13 | 106.6° | 107.4° |
| C13 | C14 | H141 | 109.5° | 111.8° |
| C13 | C14 | H142 | 109.5° | 110.6° |
| C13 | C14 | H143 | 109.5° | 110.8° |
| C15 | C13 | H13 | 109.6° | 107.2° |
| C13 | C15 | H151 | 109.5° | 111.9° |
| C13 | C15 | H152 | 109.4° | 110.5° |
| C13 | C15 | H153 | 109.4° | 110.8° |
| H151 | C15 | H152 | 109.4° | 107.6° |
| H151 | C15 | H153 | 109.5° | 108.2° |
| H152 | C15 | H153 | 109.5° | 107.7° |
| H141 | C14 | H142 | 109.5° | 107.7° |
| H141 | C14 | H143 | 109.5° | 108.1° |
| H142 | C14 | H143 | 109.5° | 107.7° |
| O9 | S8 | O10 | 110.3° | 119.5° |
| O9 | S8 | C5 | 110.8° | 107.3° |
| O10 | S8 | C5 | 110.4° | 107.3° |
| S8 | C5 | C4 | 120.3° | 119.1° |
| S8 | C5 | C6 | 121.6° | 119.1° |
| C4 | C5 | C6 | 118.2° | 121.8° |
| C5 | C4 | C3 | 121.3° | 119.1° |
| C5 | C4 | H4 | 119.4° | 121.5° |
| C5 | C6 | C7 | 120.9° | 119.1° |
| C5 | C6 | H6 | 119.5° | 121.5° |
| C7 | C6 | H6 | 119.5° | 119.4° |
| C6 | C7 | C2 | 120.5° | 120.0° |
| C6 | C7 | H7 | 119.8° | 119.7° |
| C2 | C7 | H7 | 119.8° | 120.4° |
| C7 | C2 | C3 | 118.8° | 120.0° |
| C7 | C2 | O19 | 119.6° | 120.0° |
| C3 | C2 | O19 | 121.6° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.3° |
| C2 | O19 | C18 | 122.4° | 117.1° |
| O19 | C18 | H181 | 109.5° | 109.5° |
| O19 | C18 | H182 | 109.5° | 109.5° |
| O19 | C18 | H183 | 109.4° | 109.0° |
| H181 | C18 | H182 | 109.5° | 110.1° |
| H181 | C18 | H183 | 109.4° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| C4 | C3 | H3 | 119.8° | 119.7° |
| C3 | C4 | H4 | 119.4° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | C46 | C47 | C40 | 178.9° | 179.9° |
| O45 | C46 | C47 | H471 | 172.8° | 124.6° |
| O45 | C46 | C47 | H472 | 52.8° | 112.2° |
| O45 | C46 | C47 | H473 | 67.2° | 6.4° |
| O45 | C46 | C40 | C41 | 175.8° | 179.9° |
| O45 | C46 | C40 | C45 | 5.2° | 0.2° |
| C46 | C47 | H471 | H472 | 120.0° | 126.3° |
| C46 | C47 | H471 | H473 | 120.0° | 123.5° |
| C46 | C47 | H472 | H473 | 120.0° | 123.5° |
| C47 | C46 | C40 | C41 | 5.3° | 0.0° |
| C47 | C46 | C40 | C45 | 173.7° | 179.9° |
| C40 | C46 | C47 | H471 | 6.1° | 55.5° |
| C40 | C46 | C47 | H472 | 126.1° | 67.7° |
| C40 | C46 | C47 | H473 | 113.9° | 173.7° |
| C46 | C40 | C41 | C45 | 179.0° | 179.9° |
| C46 | C40 | C41 | C42 | 179.4° | 179.9° |
| C46 | C40 | C41 | H41 | 0.6° | 0.1° |
| C46 | C40 | C45 | C44 | 179.1° | 179.9° |
| C46 | C40 | C45 | H45 | 0.9° | 0.0° |
| H471 | C47 | H472 | H473 | 120.0° | 109.9° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.6° | 0.0° |
| C40 | C41 | C42 | H42 | 179.4° | 180.0° |
| C41 | C40 | C45 | C44 | 0.1° | 0.0° |
| C41 | C40 | C45 | H45 | 179.9° | 179.9° |
| C45 | C40 | C41 | C42 | 0.4° | 0.0° |
| C45 | C40 | C41 | H41 | 179.6° | 179.9° |
| C40 | C45 | C44 | H45 | 180.0° | 179.9° |
| C40 | C45 | C44 | C43 | 1.2° | 0.0° |
| C40 | C45 | C44 | H44 | 178.8° | 180.0° |
| C41 | C42 | C43 | H42 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 1.8° | 0.1° |
| C41 | C42 | C43 | N24 | 178.2° | 179.9° |
| H41 | C41 | C42 | C43 | 179.4° | 180.0° |
| H41 | C41 | C42 | H42 | 0.6° | 0.0° |
| C42 | C43 | C44 | C45 | 2.2° | 0.1° |
| C42 | C43 | C44 | N24 | 176.2° | 179.9° |
| C42 | C43 | C44 | H44 | 177.9° | 180.0° |
| C42 | C43 | N24 | C25 | 24.5° | 3.5° |
| C42 | C43 | N24 | C26 | 161.0° | 180.0° |
| H42 | C42 | C43 | C44 | 178.2° | 179.9° |
| H42 | C42 | C43 | N24 | 1.8° | 0.0° |
| C45 | C44 | C43 | H44 | 180.0° | 180.0° |
| C45 | C44 | C43 | N24 | 178.4° | 179.9° |
| H45 | C45 | C44 | C43 | 178.8° | 179.9° |
| H45 | C45 | C44 | H44 | 1.2° | 0.1° |
| C44 | C43 | N24 | C25 | 151.7° | 176.6° |
| C44 | C43 | N24 | C26 | 22.8° | 0.1° |
| H44 | C44 | C43 | N24 | 1.7° | 0.1° |
| C43 | N24 | C25 | C26 | 175.2° | 177.1° |
| C43 | N24 | C26 | O27 | 7.1° | 1.0° |
| C43 | N24 | C26 | O28 | 170.9° | 179.8° |
| C43 | N24 | C25 | C29 | 161.7° | 171.9° |
| C43 | N24 | C25 | H251 | 41.7° | 67.5° |
| C43 | N24 | C25 | H252 | 75.7° | 52.1° |
| C25 | N24 | C26 | O27 | 178.0° | 175.9° |
| C25 | N24 | C26 | O28 | 3.9° | 3.0° |
| N24 | C25 | C29 | O28 | 17.5° | 14.9° |
| N24 | C25 | C29 | H251 | 120.0° | 117.7° |
| N24 | C25 | C29 | H252 | 122.7° | 118.8° |
| N24 | C25 | H251 | H252 | 123.0° | 120.4° |
| N24 | C25 | C29 | C21 | 139.6° | 132.0° |
| N24 | C25 | C29 | H29 | 101.7° | 104.1° |
| N24 | C26 | O27 | O28 | 177.8° | 178.8° |
| N24 | C26 | O28 | C29 | 8.4° | 7.2° |
| C26 | N24 | C25 | C29 | 13.5° | 11.1° |
| C26 | N24 | C25 | H251 | 133.5° | 109.6° |
| C26 | N24 | C25 | H252 | 109.2° | 130.9° |
| O27 | C26 | O28 | C29 | 169.8° | 173.8° |
| C26 | O28 | C29 | C25 | 16.2° | 13.9° |
| C26 | O28 | C29 | C21 | 132.0° | 134.6° |
| C26 | O28 | C29 | H29 | 108.9° | 107.4° |
| O28 | C29 | C25 | C21 | 122.1° | 117.1° |
| O28 | C29 | C25 | H29 | 119.2° | 118.9° |
| O28 | C29 | C25 | H251 | 137.5° | 102.9° |
| O28 | C29 | C25 | H252 | 105.1° | 133.6° |
| O28 | C29 | C21 | H29 | 119.6° | 118.0° |
| O28 | C29 | C21 | O22 | 174.4° | 2.0° |
| O28 | C29 | C21 | N20 | 6.7° | 178.1° |
| C29 | C25 | H251 | H252 | 123.0° | 125.1° |
| C25 | C29 | C21 | H29 | 125.1° | 125.9° |
| C25 | C29 | C21 | O22 | 70.3° | 114.1° |
| C25 | C29 | C21 | N20 | 108.6° | 65.8° |
| H251 | C25 | C29 | C21 | 100.4° | 14.3° |
| H251 | C25 | C29 | H29 | 18.3° | 138.2° |
| H252 | C25 | C29 | C21 | 17.0° | 109.2° |
| H252 | C25 | C29 | H29 | 135.7° | 14.7° |
| C29 | C21 | O22 | N20 | 178.8° | 179.9° |
| C29 | C21 | N20 | C19 | 173.3° | 180.0° |
| C29 | C21 | N20 | HN20 | 6.7° | 0.1° |
| H29 | C29 | C21 | O22 | 54.8° | 120.0° |
| H29 | C29 | C21 | N20 | 126.3° | 60.1° |
| O22 | C21 | N20 | C19 | 5.5° | 0.1° |
| O22 | C21 | N20 | HN20 | 174.5° | 180.0° |
| C21 | N20 | C19 | HN20 | 180.0° | 179.9° |
| C21 | N20 | C19 | C32 | 127.1° | 147.3° |
| C21 | N20 | C19 | C17 | 108.8° | 87.2° |
| C21 | N20 | C19 | H19 | 5.3° | 29.9° |
| N20 | C19 | C32 | C17 | 124.1° | 123.8° |
| N20 | C19 | C32 | H19 | 121.9° | 114.9° |
| N20 | C19 | C17 | H19 | 121.5° | 115.4° |
| N20 | C19 | C32 | C38 | 51.1° | 74.9° |
| N20 | C19 | C32 | H321 | 171.1° | 49.6° |
| N20 | C19 | C32 | H322 | 68.9° | 164.4° |
| N20 | C19 | C17 | C16 | 167.0° | 61.2° |
| N20 | C19 | C17 | O18 | 71.0° | 60.3° |
| N20 | C19 | C17 | H17 | 47.8° | 177.3° |
| HN20 | N20 | C19 | C32 | 52.9° | 32.7° |
| HN20 | N20 | C19 | C17 | 71.2° | 92.8° |
| HN20 | N20 | C19 | H19 | 174.7° | 150.0° |
| C32 | C19 | C17 | H19 | 121.4° | 121.8° |
| C19 | C32 | C38 | H321 | 120.0° | 124.5° |
| C19 | C32 | C38 | H322 | 120.0° | 121.7° |
| C19 | C32 | H321 | H322 | 120.0° | 117.8° |
| C19 | C32 | C38 | C37 | 70.3° | 90.1° |
| C19 | C32 | C38 | C33 | 108.6° | 90.0° |
| C32 | C19 | C17 | C16 | 75.9° | 61.6° |
| C32 | C19 | C17 | O18 | 46.1° | 176.9° |
| C32 | C19 | C17 | H17 | 165.0° | 59.9° |
| C17 | C19 | C32 | C38 | 175.2° | 161.4° |
| C17 | C19 | C32 | H321 | 64.8° | 74.2° |
| C17 | C19 | C32 | H322 | 55.2° | 40.6° |
| C19 | C17 | C16 | O18 | 123.0° | 121.4° |
| C19 | C17 | C16 | H17 | 118.1° | 121.4° |
| C19 | C17 | O18 | H17 | 118.1° | 118.1° |
| C19 | C17 | O18 | HO18 | 20.7° | 79.5° |
| C19 | C17 | C16 | N11 | 66.5° | 179.2° |
| C19 | C17 | C16 | H161 | 173.5° | 60.0° |
| C19 | C17 | C16 | H162 | 53.5° | 61.9° |
| H19 | C19 | C32 | C38 | 70.8° | 40.0° |
| H19 | C19 | C32 | H321 | 49.2° | 164.4° |
| H19 | C19 | C32 | H322 | 169.2° | 80.7° |
| H19 | C19 | C17 | C16 | 45.5° | 176.6° |
| H19 | C19 | C17 | O18 | 167.5° | 55.1° |
| H19 | C19 | C17 | H17 | 73.7° | 61.9° |
| C38 | C32 | H321 | H322 | 120.0° | 115.6° |
| C32 | C38 | C37 | C33 | 178.9° | 179.9° |
| C32 | C38 | C37 | C36 | 178.5° | 180.0° |
| C32 | C38 | C37 | H37 | 1.5° | 0.1° |
| C32 | C38 | C33 | C34 | 178.7° | 180.0° |
| C32 | C38 | C33 | H33 | 1.3° | 0.1° |
| H321 | C32 | C38 | C37 | 49.8° | 145.4° |
| H321 | C32 | C38 | C33 | 131.3° | 34.5° |
| H322 | C32 | C38 | C37 | 169.7° | 31.7° |
| H322 | C32 | C38 | C33 | 11.4° | 148.3° |
| C38 | C37 | C36 | H37 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.8° | 0.0° |
| C38 | C37 | C36 | H36 | 179.1° | 179.9° |
| C37 | C38 | C33 | C34 | 0.2° | 0.0° |
| C37 | C38 | C33 | H33 | 179.8° | 180.0° |
| C33 | C38 | C37 | C36 | 0.4° | 0.0° |
| C33 | C38 | C37 | H37 | 179.6° | 180.0° |
| C38 | C33 | C34 | C35 | 0.5° | 0.0° |
| C38 | C33 | C34 | H33 | 180.0° | 180.0° |
| C38 | C33 | C34 | H34 | 179.5° | 179.9° |
| C37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 1.0° | 0.0° |
| C37 | C36 | C35 | H35 | 179.0° | 180.0° |
| H37 | C37 | C36 | C35 | 179.1° | 180.0° |
| H37 | C37 | C36 | H36 | 0.9° | 0.0° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.8° | 0.0° |
| C36 | C35 | C34 | H34 | 179.1° | 180.0° |
| H36 | C36 | C35 | C34 | 178.9° | 180.0° |
| H36 | C36 | C35 | H35 | 1.1° | 0.0° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | H33 | 179.6° | 180.0° |
| H35 | C35 | C34 | C33 | 179.2° | 180.0° |
| H35 | C35 | C34 | H34 | 0.9° | 0.0° |
| H34 | C34 | C33 | H33 | 0.5° | 0.0° |
| C16 | C17 | O18 | H17 | 119.2° | 118.5° |
| C16 | C17 | O18 | HO18 | 143.4° | 157.2° |
| C17 | C16 | N11 | H161 | 120.0° | 121.6° |
| C17 | C16 | N11 | H162 | 120.0° | 121.0° |
| C17 | C16 | H161 | H162 | 119.9° | 123.0° |
| C17 | C16 | N11 | S8 | 120.7° | 88.4° |
| C17 | C16 | N11 | C12 | 108.9° | 130.2° |
| O18 | C17 | C16 | N11 | 170.5° | 57.8° |
| O18 | C17 | C16 | H161 | 50.5° | 61.4° |
| O18 | C17 | C16 | H162 | 69.6° | 176.7° |
| H17 | C17 | O18 | HO18 | 97.4° | 38.6° |
| H17 | C17 | C16 | N11 | 51.6° | 59.4° |
| H17 | C17 | C16 | H161 | 68.4° | 178.7° |
| H17 | C17 | C16 | H162 | 171.6° | 59.5° |
| N11 | C16 | H161 | H162 | 119.9° | 116.5° |
| C16 | N11 | S8 | C12 | 130.8° | 139.3° |
| C16 | N11 | C12 | C13 | 78.5° | 70.7° |
| C16 | N11 | C12 | H121 | 161.5° | 51.5° |
| C16 | N11 | C12 | H122 | 40.7° | 168.0° |
| C16 | N11 | S8 | O9 | 158.9° | 167.0° |
| C16 | N11 | S8 | O10 | 41.4° | 34.4° |
| C16 | N11 | S8 | C5 | 81.1° | 79.2° |
| H161 | C16 | N11 | S8 | 119.3° | 150.0° |
| H161 | C16 | N11 | C12 | 11.1° | 8.6° |
| H162 | C16 | N11 | S8 | 0.7° | 32.6° |
| H162 | C16 | N11 | C12 | 131.1° | 108.8° |
| S8 | N11 | C12 | C13 | 149.2° | 147.8° |
| S8 | N11 | C12 | H121 | 29.2° | 90.0° |
| S8 | N11 | C12 | H122 | 91.5° | 26.5° |
| N11 | S8 | O9 | O10 | 116.3° | 127.2° |
| N11 | S8 | O9 | C5 | 121.2° | 110.6° |
| N11 | S8 | O10 | C5 | 123.7° | 110.5° |
| N11 | S8 | C5 | C4 | 93.7° | 90.1° |
| N11 | S8 | C5 | C6 | 85.8° | 90.0° |
| N11 | C12 | C13 | H121 | 120.0° | 120.9° |
| N11 | C12 | C13 | H122 | 119.2° | 120.2° |
| N11 | C12 | H121 | H122 | 119.2° | 116.8° |
| N11 | C12 | C13 | C14 | 59.4° | 175.8° |
| N11 | C12 | C13 | C15 | 176.7° | 59.1° |
| N11 | C12 | C13 | H13 | 57.7° | 58.3° |
| C12 | N11 | S8 | O9 | 70.3° | 53.7° |
| C12 | N11 | S8 | O10 | 172.2° | 173.6° |
| C12 | N11 | S8 | C5 | 49.7° | 60.0° |
| C13 | C12 | H121 | H122 | 119.3° | 120.3° |
| C12 | C13 | C14 | C15 | 123.6° | 126.1° |
| C12 | C13 | C14 | H13 | 117.3° | 117.2° |
| C12 | C13 | C15 | H13 | 117.6° | 117.2° |
| C12 | C13 | C15 | H151 | 99.5° | 66.9° |
| C12 | C13 | C15 | H152 | 140.6° | 173.2° |
| C12 | C13 | C15 | H153 | 20.6° | 54.0° |
| C12 | C13 | C14 | H141 | 13.4° | 65.7° |
| C12 | C13 | C14 | H142 | 106.6° | 174.3° |
| C12 | C13 | C14 | H143 | 133.4° | 54.9° |
| H121 | C12 | C13 | C14 | 60.7° | 54.8° |
| H121 | C12 | C13 | C15 | 63.2° | 180.0° |
| H121 | C12 | C13 | H13 | 177.7° | 62.6° |
| H122 | C12 | C13 | C14 | 178.6° | 64.1° |
| H122 | C12 | C13 | C15 | 57.5° | 61.1° |
| H122 | C12 | C13 | H13 | 61.6° | 178.5° |
| C14 | C13 | C15 | H13 | 117.2° | 116.8° |
| C14 | C13 | C15 | H151 | 135.3° | 59.1° |
| C14 | C13 | C15 | H152 | 15.3° | 60.8° |
| C14 | C13 | C15 | H153 | 104.7° | 179.9° |
| C13 | C14 | H141 | H142 | 120.0° | 121.7° |
| C13 | C14 | H141 | H143 | 120.0° | 122.2° |
| C13 | C14 | H142 | H143 | 120.0° | 121.2° |
| C13 | C15 | H151 | H152 | 120.0° | 121.5° |
| C13 | C15 | H151 | H153 | 120.0° | 122.4° |
| C13 | C15 | H152 | H153 | 120.0° | 121.1° |
| C15 | C13 | C14 | H141 | 137.0° | 60.4° |
| C15 | C13 | C14 | H142 | 17.0° | 59.6° |
| C15 | C13 | C14 | H143 | 103.0° | 178.9° |
| H13 | C13 | C15 | H151 | 18.1° | 175.9° |
| H13 | C13 | C15 | H152 | 101.9° | 56.0° |
| H13 | C13 | C15 | H153 | 138.1° | 63.3° |
| H13 | C13 | C14 | H141 | 104.0° | 177.1° |
| H13 | C13 | C14 | H142 | 136.0° | 57.1° |
| H13 | C13 | C14 | H143 | 16.0° | 62.2° |
| H151 | C15 | H152 | H153 | 120.0° | 116.5° |
| H141 | C14 | H142 | H143 | 120.0° | 116.4° |
| O9 | S8 | O10 | C5 | 122.8° | 122.2° |
| O9 | S8 | C5 | C4 | 22.4° | 25.3° |
| O9 | S8 | C5 | C6 | 158.1° | 154.6° |
| O10 | S8 | C5 | C4 | 144.9° | 154.8° |
| O10 | S8 | C5 | C6 | 35.6° | 25.1° |
| S8 | C5 | C4 | C6 | 179.5° | 179.9° |
| S8 | C5 | C6 | C7 | 178.7° | 179.9° |
| S8 | C5 | C6 | H6 | 1.3° | 0.1° |
| S8 | C5 | C4 | C3 | 178.9° | 179.9° |
| S8 | C5 | C4 | H4 | 1.1° | 0.1° |
| C4 | C5 | C6 | C7 | 0.8° | 0.0° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.4° | 0.0° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C6 | C7 | C2 | H7 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 0.2° | 0.0° |
| C6 | C7 | C2 | O19 | 180.0° | 180.0° |
| H6 | C6 | C7 | C2 | 179.6° | 180.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| C7 | C2 | C3 | O19 | 179.7° | 179.9° |
| C7 | C2 | O19 | C18 | 170.4° | 0.1° |
| C7 | C2 | C3 | C4 | 0.4° | 0.0° |
| C7 | C2 | C3 | H3 | 179.6° | 180.0° |
| H7 | C7 | C2 | C3 | 179.8° | 180.0° |
| H7 | C7 | C2 | O19 | 0.0° | 0.1° |
| C3 | C2 | O19 | C18 | 9.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | O19 | C18 | H181 | 127.8° | 3.0° |
| C2 | O19 | C18 | H182 | 7.8° | 123.8° |
| C2 | O19 | C18 | H183 | 112.2° | 116.6° |
| O19 | C2 | C3 | C4 | 179.9° | 179.9° |
| O19 | C2 | C3 | H3 | 0.1° | 0.1° |
| O19 | C18 | H181 | H182 | 120.0° | 120.4° |
| O19 | C18 | H181 | H183 | 120.0° | 119.4° |
| O19 | C18 | H182 | H183 | 120.0° | 119.4° |
| H181 | C18 | H182 | H183 | 120.0° | 120.2° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
