BHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | S39 | doub | 1.52Å | 1.50Å | |
| S39 | O44 | doub | 1.42Å | 1.50Å | |
| S39 | O45 | sing | 1.42Å | 1.50Å | |
| S39 | C32 | sing | 1.76Å | 1.75Å | |
| O45 | H45 | sing | 8.03Å | 0.95Å | |
| C32 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C33 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | N20 | sing | 1.40Å | 1.33Å | |
| N20 | C17 | sing | 1.39Å | 1.33Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C17 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | C5 | sing | 1.37Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | |
| C1 | C4 | doub | 1.41Å | 1.39Å | |
| C1 | C3 | sing | 1.47Å | 1.40Å | |
| C4 | C10 | sing | 1.41Å | 1.39Å | |
| C4 | C9 | sing | 1.41Å | 1.39Å | |
| C10 | C16 | doub | 1.35Å | 1.39Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | C19 | sing | 1.41Å | 1.39Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | C15 | doub | 1.36Å | 1.39Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | C19 | sing | 1.41Å | 1.39Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | N22 | doub | 1.34Å | 1.34Å | |
| N22 | C25 | sing | 1.36Å | 1.33Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C25 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C42 | S49 | sing | 1.76Å | 1.75Å | |
| C42 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| S49 | O51 | sing | 1.52Å | 1.50Å | |
| S49 | O52 | doub | 1.42Å | 1.50Å | |
| S49 | O50 | doub | 1.42Å | 1.50Å | |
| O51 | H51 | sing | 0.97Å | 0.95Å | |
| C37 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C3 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C14 | doub | 1.37Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | C13 | sing | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | N21 | sing | 1.39Å | 1.33Å | |
| N21 | C24 | sing | 1.40Å | 1.33Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C24 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C34 | S41 | sing | 1.76Å | 1.75Å | |
| S41 | O47 | doub | 1.52Å | 1.50Å | |
| S41 | O48 | doub | 1.42Å | 1.50Å | |
| S41 | O46 | sing | 1.42Å | 1.50Å | |
| O46 | H46 | sing | 9.47Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | S39 | O44 | 108.9° | 105.7° |
| O43 | S39 | O45 | 109.6° | 105.8° |
| O43 | S39 | C32 | 108.8° | 107.4° |
| O44 | S39 | O45 | 109.9° | 125.4° |
| O44 | S39 | C32 | 109.3° | 105.8° |
| O45 | S39 | C32 | 110.3° | 105.8° |
| S39 | O45 | H45 | 109.5° | 33.5° |
| S39 | C32 | C26 | 121.8° | 120.0° |
| S39 | C32 | C38 | 117.2° | 119.9° |
| C26 | C32 | C38 | 120.5° | 120.1° |
| C32 | C26 | C23 | 119.7° | 119.9° |
| C32 | C26 | H26 | 120.1° | 120.0° |
| C32 | C38 | C33 | 120.1° | 120.1° |
| C32 | C38 | H38 | 119.9° | 119.9° |
| C23 | C26 | H26 | 120.1° | 120.0° |
| C26 | C23 | C27 | 119.2° | 119.8° |
| C26 | C23 | N20 | 125.7° | 120.1° |
| C33 | C38 | H38 | 120.0° | 119.9° |
| C38 | C33 | C27 | 119.1° | 120.1° |
| C38 | C33 | H33 | 120.4° | 120.0° |
| C27 | C33 | H33 | 120.5° | 119.9° |
| C33 | C27 | C23 | 121.3° | 119.9° |
| C33 | C27 | H27 | 119.3° | 120.1° |
| C23 | C27 | H27 | 119.3° | 120.0° |
| C27 | C23 | N20 | 114.5° | 120.1° |
| C23 | N20 | C17 | 133.4° | 120.0° |
| C23 | N20 | H20 | 113.3° | 120.0° |
| C17 | N20 | H20 | 113.3° | 120.0° |
| N20 | C17 | C12 | 114.6° | 119.9° |
| N20 | C17 | C11 | 125.9° | 119.9° |
| C12 | C17 | C11 | 119.1° | 120.2° |
| C17 | C12 | C6 | 120.8° | 120.1° |
| C17 | C12 | H12 | 119.6° | 120.0° |
| C17 | C11 | C5 | 120.1° | 120.1° |
| C17 | C11 | H11 | 120.0° | 120.0° |
| C6 | C12 | H12 | 119.6° | 120.0° |
| C12 | C6 | C2 | 120.2° | 119.9° |
| C12 | C6 | H6 | 119.8° | 120.1° |
| C2 | C6 | H6 | 119.9° | 120.0° |
| C6 | C2 | C5 | 119.1° | 119.8° |
| C6 | C2 | C1 | 117.4° | 120.1° |
| C5 | C11 | H11 | 120.0° | 119.9° |
| C11 | C5 | C2 | 120.6° | 119.9° |
| C11 | C5 | H5 | 119.7° | 120.0° |
| C2 | C5 | H5 | 119.7° | 120.1° |
| C5 | C2 | C1 | 123.2° | 120.1° |
| C2 | C1 | C4 | 120.5° | 120.1° |
| C2 | C1 | C3 | 118.9° | 120.0° |
| C4 | C1 | C3 | 119.9° | 120.0° |
| C1 | C4 | C10 | 122.1° | 120.0° |
| C1 | C4 | C9 | 119.7° | 119.9° |
| C1 | C3 | C8 | 118.7° | 120.1° |
| C1 | C3 | C7 | 122.2° | 120.1° |
| C10 | C4 | C9 | 118.1° | 120.0° |
| C4 | C10 | C16 | 121.0° | 120.0° |
| C4 | C10 | H10 | 119.5° | 120.0° |
| C4 | C9 | C15 | 120.8° | 120.0° |
| C4 | C9 | H9 | 119.6° | 120.0° |
| C16 | C10 | H10 | 119.5° | 120.0° |
| C10 | C16 | C19 | 120.8° | 120.0° |
| C10 | C16 | H16 | 119.6° | 120.0° |
| C19 | C16 | H16 | 119.6° | 120.0° |
| C16 | C19 | C15 | 118.2° | 120.0° |
| C16 | C19 | N22 | 120.1° | 120.0° |
| C15 | C9 | H9 | 119.6° | 120.0° |
| C9 | C15 | C19 | 121.1° | 119.9° |
| C9 | C15 | H15 | 119.5° | 120.0° |
| C19 | C15 | H15 | 119.5° | 120.1° |
| C15 | C19 | N22 | 121.0° | 120.0° |
| C19 | N22 | C25 | 126.3° | 120.0° |
| C19 | N22 | H22 | 116.8° | 120.0° |
| C25 | N22 | H22 | 116.8° | 120.0° |
| N22 | C25 | C30 | 119.2° | 120.2° |
| N22 | C25 | C31 | 122.3° | 120.2° |
| C30 | C25 | C31 | 118.5° | 119.6° |
| C25 | C30 | C36 | 120.7° | 119.8° |
| C25 | C30 | H30 | 119.7° | 120.1° |
| C25 | C31 | C37 | 121.3° | 119.8° |
| C25 | C31 | H31 | 119.4° | 120.1° |
| C36 | C30 | H30 | 119.7° | 120.1° |
| C30 | C36 | C42 | 120.3° | 120.2° |
| C30 | C36 | H36 | 119.9° | 119.9° |
| C42 | C36 | H36 | 119.9° | 119.9° |
| C36 | C42 | S49 | 121.1° | 119.8° |
| C36 | C42 | C37 | 119.6° | 120.4° |
| S49 | C42 | C37 | 119.3° | 119.8° |
| C42 | S49 | O51 | 110.0° | 107.4° |
| C42 | S49 | O52 | 108.7° | 105.7° |
| C42 | S49 | O50 | 110.1° | 105.8° |
| C42 | C37 | C31 | 119.7° | 120.2° |
| C42 | C37 | H37 | 120.2° | 119.9° |
| O51 | S49 | O52 | 109.6° | 105.8° |
| O51 | S49 | O50 | 108.9° | 105.8° |
| S49 | O51 | H51 | 109.5° | 106.9° |
| O52 | S49 | O50 | 109.5° | 125.4° |
| C31 | C37 | H37 | 120.1° | 119.9° |
| C37 | C31 | H31 | 119.3° | 120.1° |
| C8 | C3 | C7 | 118.7° | 119.8° |
| C3 | C8 | C14 | 120.6° | 119.9° |
| C3 | C8 | H8 | 119.7° | 120.1° |
| C3 | C7 | C13 | 120.8° | 119.9° |
| C3 | C7 | H7 | 119.6° | 120.0° |
| C14 | C8 | H8 | 119.7° | 120.0° |
| C8 | C14 | C18 | 120.7° | 120.1° |
| C8 | C14 | H14 | 119.7° | 120.0° |
| C18 | C14 | H14 | 119.7° | 119.9° |
| C14 | C18 | C13 | 119.0° | 120.2° |
| C14 | C18 | N21 | 115.6° | 119.9° |
| C13 | C7 | H7 | 119.6° | 120.0° |
| C7 | C13 | C18 | 120.1° | 120.1° |
| C7 | C13 | H13 | 120.0° | 120.0° |
| C18 | C13 | H13 | 119.9° | 119.9° |
| C13 | C18 | N21 | 124.4° | 119.9° |
| C18 | N21 | C24 | 133.2° | 120.0° |
| C18 | N21 | H21 | 113.4° | 120.0° |
| C24 | N21 | H21 | 113.4° | 120.0° |
| N21 | C24 | C28 | 125.7° | 120.1° |
| N21 | C24 | C29 | 114.9° | 120.1° |
| C28 | C24 | C29 | 119.3° | 119.8° |
| C24 | C28 | C34 | 119.8° | 119.9° |
| C24 | C28 | H28 | 120.1° | 120.0° |
| C24 | C29 | C35 | 121.2° | 119.9° |
| C24 | C29 | H29 | 119.4° | 120.1° |
| C34 | C28 | H28 | 120.1° | 120.0° |
| C28 | C34 | C40 | 120.3° | 120.1° |
| C28 | C34 | S41 | 121.8° | 120.0° |
| C35 | C29 | H29 | 119.4° | 120.0° |
| C29 | C35 | C40 | 119.1° | 120.1° |
| C29 | C35 | H35 | 120.5° | 119.9° |
| C40 | C35 | H35 | 120.5° | 120.0° |
| C35 | C40 | C34 | 120.3° | 120.2° |
| C35 | C40 | H40 | 119.8° | 119.9° |
| C34 | C40 | H40 | 119.9° | 119.9° |
| C40 | C34 | S41 | 117.8° | 119.9° |
| C34 | S41 | O47 | 109.7° | 107.4° |
| C34 | S41 | O48 | 109.3° | 105.7° |
| C34 | S41 | O46 | 110.1° | 105.8° |
| O47 | S41 | O48 | 109.0° | 105.7° |
| O47 | S41 | O46 | 109.9° | 105.7° |
| O48 | S41 | O46 | 108.8° | 125.4° |
| S41 | O46 | H46 | 109.5° | 36.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | S39 | O44 | O45 | 120.1° | 123.1° |
| O43 | S39 | O44 | C32 | 118.7° | 113.7° |
| O43 | S39 | O45 | C32 | 119.8° | 113.8° |
| O43 | S39 | O45 | H45 | 147.8° | 146.8° |
| O43 | S39 | C32 | C26 | 155.1° | 89.7° |
| O43 | S39 | C32 | C38 | 16.6° | 90.0° |
| O44 | S39 | O45 | C32 | 120.6° | 123.1° |
| O44 | S39 | O45 | H45 | 92.5° | 23.7° |
| O44 | S39 | C32 | C26 | 36.4° | 22.8° |
| O44 | S39 | C32 | C38 | 135.4° | 157.4° |
| O45 | S39 | C32 | C26 | 84.6° | 157.7° |
| O45 | S39 | C32 | C38 | 103.6° | 22.6° |
| C32 | S39 | O45 | H45 | 28.1° | 99.4° |
| S39 | C32 | C26 | C38 | 171.5° | 179.7° |
| S39 | C32 | C26 | C23 | 170.1° | 179.7° |
| S39 | C32 | C26 | H26 | 9.9° | 0.3° |
| S39 | C32 | C38 | C33 | 170.5° | 180.0° |
| S39 | C32 | C38 | H38 | 9.5° | 0.1° |
| C32 | C26 | C23 | H26 | 180.0° | 179.4° |
| C26 | C32 | C38 | C33 | 1.4° | 0.3° |
| C26 | C32 | C38 | H38 | 178.6° | 179.8° |
| C32 | C26 | C23 | C27 | 0.3° | 0.5° |
| C32 | C26 | C23 | N20 | 171.1° | 179.7° |
| C38 | C32 | C26 | C23 | 1.4° | 0.6° |
| C38 | C32 | C26 | H26 | 178.6° | 180.0° |
| C32 | C38 | C33 | H38 | 180.0° | 179.9° |
| C32 | C38 | C33 | C27 | 0.3° | 0.0° |
| C32 | C38 | C33 | H33 | 179.7° | 179.9° |
| C26 | C23 | C27 | C33 | 0.9° | 0.2° |
| C26 | C23 | C27 | N20 | 171.9° | 179.7° |
| C26 | C23 | C27 | H27 | 179.1° | 179.7° |
| C26 | C23 | N20 | C17 | 2.5° | 32.0° |
| C26 | C23 | N20 | H20 | 177.5° | 148.0° |
| H26 | C26 | C23 | C27 | 179.8° | 180.0° |
| H26 | C26 | C23 | N20 | 8.9° | 0.3° |
| C38 | C33 | C27 | H33 | 180.0° | 179.9° |
| C38 | C33 | C27 | C23 | 0.9° | 0.0° |
| C38 | C33 | C27 | H27 | 179.1° | 180.0° |
| H38 | C38 | C33 | C27 | 179.7° | 179.9° |
| H38 | C38 | C33 | H33 | 0.3° | 0.0° |
| C33 | C27 | C23 | H27 | 180.0° | 180.0° |
| C33 | C27 | C23 | N20 | 171.0° | 180.0° |
| H33 | C33 | C27 | C23 | 179.1° | 180.0° |
| H33 | C33 | C27 | H27 | 0.8° | 0.0° |
| C27 | C23 | N20 | C17 | 168.8° | 148.3° |
| C27 | C23 | N20 | H20 | 11.2° | 31.8° |
| H27 | C27 | C23 | N20 | 9.0° | 0.0° |
| C23 | N20 | C17 | H20 | 180.0° | 180.0° |
| C23 | N20 | C17 | C12 | 173.9° | 28.2° |
| C23 | N20 | C17 | C11 | 0.9° | 151.9° |
| N20 | C17 | C12 | C11 | 173.5° | 179.9° |
| N20 | C17 | C12 | C6 | 171.4° | 179.9° |
| N20 | C17 | C12 | H12 | 8.6° | 0.1° |
| N20 | C17 | C11 | C5 | 170.8° | 179.7° |
| N20 | C17 | C11 | H11 | 9.2° | 0.1° |
| H20 | N20 | C17 | C12 | 6.1° | 151.8° |
| H20 | N20 | C17 | C11 | 179.1° | 28.1° |
| C17 | C12 | C6 | H12 | 180.0° | 180.0° |
| C17 | C12 | C6 | C2 | 0.3° | 0.0° |
| C17 | C12 | C6 | H6 | 179.7° | 180.0° |
| C12 | C17 | C11 | C5 | 1.8° | 0.2° |
| C12 | C17 | C11 | H11 | 178.1° | 180.0° |
| C11 | C17 | C12 | C6 | 2.0° | 0.1° |
| C11 | C17 | C12 | H12 | 178.0° | 180.0° |
| C17 | C11 | C5 | H11 | 180.0° | 179.8° |
| C17 | C11 | C5 | C2 | 0.1° | 0.4° |
| C17 | C11 | C5 | H5 | 179.9° | 180.0° |
| C12 | C6 | C2 | H6 | 180.0° | 180.0° |
| C12 | C6 | C2 | C5 | 1.6° | 0.2° |
| C12 | C6 | C2 | C1 | 172.2° | 180.0° |
| H12 | C12 | C6 | C2 | 179.7° | 180.0° |
| H12 | C12 | C6 | H6 | 0.3° | 0.0° |
| C6 | C2 | C5 | C11 | 1.8° | 0.5° |
| C6 | C2 | C5 | C1 | 173.5° | 179.8° |
| C6 | C2 | C5 | H5 | 178.2° | 180.0° |
| C6 | C2 | C1 | C4 | 113.5° | 65.0° |
| C6 | C2 | C1 | C3 | 56.8° | 115.0° |
| H6 | C6 | C2 | C5 | 178.3° | 179.8° |
| H6 | C6 | C2 | C1 | 7.8° | 0.0° |
| C11 | C5 | C2 | H5 | 180.0° | 179.5° |
| C11 | C5 | C2 | C1 | 171.7° | 179.7° |
| H11 | C11 | C5 | C2 | 179.9° | 179.7° |
| H11 | C11 | C5 | H5 | 0.1° | 0.2° |
| C5 | C2 | C1 | C4 | 60.1° | 115.3° |
| C5 | C2 | C1 | C3 | 129.6° | 64.8° |
| H5 | C5 | C2 | C1 | 8.3° | 0.2° |
| C2 | C1 | C4 | C3 | 170.3° | 180.0° |
| C2 | C1 | C4 | C10 | 11.2° | 180.0° |
| C2 | C1 | C4 | C9 | 166.6° | 0.0° |
| C2 | C1 | C3 | C8 | 106.6° | 115.0° |
| C2 | C1 | C3 | C7 | 65.8° | 64.7° |
| C1 | C4 | C10 | C9 | 177.8° | 180.0° |
| C1 | C4 | C10 | C16 | 177.9° | 179.9° |
| C1 | C4 | C10 | H10 | 2.1° | 0.0° |
| C1 | C4 | C9 | C15 | 177.6° | 179.8° |
| C1 | C4 | C9 | H9 | 2.4° | 0.0° |
| C4 | C1 | C3 | C8 | 63.8° | 65.0° |
| C4 | C1 | C3 | C7 | 123.7° | 115.2° |
| C3 | C1 | C4 | C10 | 178.6° | 0.0° |
| C3 | C1 | C4 | C9 | 3.7° | 180.0° |
| C1 | C3 | C8 | C7 | 172.7° | 179.7° |
| C1 | C3 | C8 | C14 | 171.3° | 180.0° |
| C1 | C3 | C8 | H8 | 8.7° | 0.1° |
| C1 | C3 | C7 | C13 | 170.8° | 179.8° |
| C1 | C3 | C7 | H7 | 9.1° | 0.2° |
| C4 | C10 | C16 | H10 | 180.0° | 179.9° |
| C4 | C10 | C16 | C19 | 0.2° | 0.0° |
| C4 | C10 | C16 | H16 | 179.8° | 180.0° |
| C10 | C4 | C9 | C15 | 0.2° | 0.2° |
| C10 | C4 | C9 | H9 | 179.8° | 180.0° |
| C9 | C4 | C10 | C16 | 0.1° | 0.0° |
| C9 | C4 | C10 | H10 | 179.9° | 180.0° |
| C4 | C9 | C15 | H9 | 180.0° | 179.8° |
| C4 | C9 | C15 | C19 | 0.5° | 0.5° |
| C4 | C9 | C15 | H15 | 179.5° | 180.0° |
| C10 | C16 | C19 | H16 | 180.0° | 180.0° |
| C10 | C16 | C19 | C15 | 0.1° | 0.2° |
| C10 | C16 | C19 | N22 | 170.9° | 179.9° |
| H10 | C10 | C16 | C19 | 179.9° | 180.0° |
| H10 | C10 | C16 | H16 | 0.1° | 0.1° |
| C16 | C19 | C15 | C9 | 0.5° | 0.5° |
| C16 | C19 | C15 | N22 | 170.9° | 179.7° |
| C16 | C19 | C15 | H15 | 179.5° | 180.0° |
| C16 | C19 | N22 | C25 | 177.1° | 174.5° |
| C16 | C19 | N22 | H22 | 2.9° | 5.5° |
| H16 | C16 | C19 | C15 | 179.9° | 179.7° |
| H16 | C16 | C19 | N22 | 9.1° | 0.0° |
| C9 | C15 | C19 | H15 | 180.0° | 179.5° |
| C9 | C15 | C19 | N22 | 170.4° | 179.8° |
| H9 | C9 | C15 | C19 | 179.5° | 179.7° |
| H9 | C9 | C15 | H15 | 0.5° | 0.2° |
| C15 | C19 | N22 | C25 | 12.2° | 5.2° |
| C15 | C19 | N22 | H22 | 167.8° | 174.8° |
| H15 | C15 | C19 | N22 | 9.6° | 0.3° |
| C19 | N22 | C25 | H22 | 180.0° | 180.0° |
| C19 | N22 | C25 | C30 | 175.5° | 56.6° |
| C19 | N22 | C25 | C31 | 2.4° | 123.3° |
| N22 | C25 | C30 | C31 | 178.0° | 179.9° |
| N22 | C25 | C30 | C36 | 178.1° | 180.0° |
| N22 | C25 | C30 | H30 | 1.9° | 0.1° |
| N22 | C25 | C31 | C37 | 178.5° | 179.7° |
| N22 | C25 | C31 | H31 | 1.5° | 0.1° |
| H22 | N22 | C25 | C30 | 4.5° | 123.4° |
| H22 | N22 | C25 | C31 | 177.6° | 56.7° |
| C25 | C30 | C36 | H30 | 180.0° | 179.9° |
| C25 | C30 | C36 | C42 | 0.3° | 0.0° |
| C25 | C30 | C36 | H36 | 179.7° | 179.9° |
| C30 | C25 | C31 | C37 | 0.6° | 0.2° |
| C30 | C25 | C31 | H31 | 179.4° | 180.0° |
| C31 | C25 | C30 | C36 | 0.1° | 0.1° |
| C31 | C25 | C30 | H30 | 179.9° | 180.0° |
| C25 | C31 | C37 | C42 | 0.6° | 0.5° |
| C25 | C31 | C37 | H31 | 180.0° | 179.8° |
| C25 | C31 | C37 | H37 | 179.5° | 180.0° |
| C30 | C36 | C42 | H36 | 180.0° | 180.0° |
| C30 | C36 | C42 | S49 | 179.8° | 180.0° |
| C30 | C36 | C42 | C37 | 0.3° | 0.3° |
| H30 | C30 | C36 | C42 | 179.6° | 179.9° |
| H30 | C30 | C36 | H36 | 0.4° | 0.1° |
| C36 | C42 | S49 | C37 | 179.8° | 179.7° |
| C36 | C42 | S49 | O51 | 57.1° | 90.0° |
| C36 | C42 | S49 | O52 | 177.1° | 22.6° |
| C36 | C42 | S49 | O50 | 62.9° | 157.4° |
| C36 | C42 | C37 | C31 | 0.1° | 0.6° |
| C36 | C42 | C37 | H37 | 179.9° | 180.0° |
| H36 | C36 | C42 | S49 | 0.2° | 0.0° |
| H36 | C36 | C42 | C37 | 179.7° | 179.7° |
| C42 | S49 | O51 | O52 | 119.5° | 112.6° |
| C42 | S49 | O51 | O50 | 120.7° | 112.6° |
| C42 | S49 | O52 | O50 | 120.3° | 123.1° |
| C42 | S49 | O51 | H51 | 66.6° | 180.0° |
| S49 | C42 | C37 | C31 | 179.7° | 179.7° |
| S49 | C42 | C37 | H37 | 0.2° | 0.3° |
| C37 | C42 | S49 | O51 | 122.7° | 90.3° |
| C37 | C42 | S49 | O52 | 2.7° | 157.1° |
| C37 | C42 | S49 | O50 | 117.3° | 22.3° |
| C42 | C37 | C31 | H37 | 180.0° | 179.4° |
| C42 | C37 | C31 | H31 | 179.4° | 179.6° |
| O51 | S49 | O52 | O50 | 119.4° | 123.1° |
| O52 | S49 | O51 | H51 | 173.9° | 67.4° |
| O50 | S49 | O51 | H51 | 54.1° | 67.4° |
| H37 | C37 | C31 | H31 | 0.5° | 0.2° |
| C3 | C8 | C14 | H8 | 180.0° | 180.0° |
| C3 | C8 | C14 | C18 | 0.4° | 0.0° |
| C3 | C8 | C14 | H14 | 179.6° | 179.9° |
| C8 | C3 | C7 | C13 | 1.6° | 0.5° |
| C8 | C3 | C7 | H7 | 178.4° | 179.9° |
| C7 | C3 | C8 | C14 | 1.4° | 0.3° |
| C7 | C3 | C8 | H8 | 178.6° | 179.8° |
| C3 | C7 | C13 | H7 | 180.0° | 179.6° |
| C3 | C7 | C13 | C18 | 0.1° | 0.5° |
| C3 | C7 | C13 | H13 | 179.9° | 179.7° |
| C8 | C14 | C18 | H14 | 180.0° | 180.0° |
| C8 | C14 | C18 | C13 | 1.9° | 0.0° |
| C8 | C14 | C18 | N21 | 167.4° | 180.0° |
| H8 | C8 | C14 | C18 | 179.6° | 180.0° |
| H8 | C8 | C14 | H14 | 0.4° | 0.0° |
| C14 | C18 | C13 | C7 | 1.7° | 0.2° |
| C14 | C18 | C13 | N21 | 168.3° | 180.0° |
| C14 | C18 | C13 | H13 | 178.4° | 179.9° |
| C14 | C18 | N21 | C24 | 179.5° | 29.3° |
| C14 | C18 | N21 | H21 | 0.5° | 150.8° |
| H14 | C14 | C18 | C13 | 178.1° | 180.0° |
| H14 | C14 | C18 | N21 | 12.6° | 0.1° |
| C7 | C13 | C18 | H13 | 180.0° | 179.8° |
| C7 | C13 | C18 | N21 | 166.7° | 179.8° |
| H7 | C7 | C13 | C18 | 179.9° | 180.0° |
| H7 | C7 | C13 | H13 | 0.1° | 0.1° |
| C13 | C18 | N21 | C24 | 11.8° | 150.7° |
| C13 | C18 | N21 | H21 | 168.2° | 29.2° |
| H13 | C13 | C18 | N21 | 13.3° | 0.1° |
| C18 | N21 | C24 | H21 | 180.0° | 179.9° |
| C18 | N21 | C24 | C28 | 5.9° | 29.4° |
| C18 | N21 | C24 | C29 | 178.1° | 150.8° |
| N21 | C24 | C28 | C29 | 175.8° | 179.8° |
| N21 | C24 | C28 | C34 | 175.6° | 179.7° |
| N21 | C24 | C28 | H28 | 4.4° | 0.2° |
| N21 | C24 | C29 | C35 | 176.3° | 180.0° |
| N21 | C24 | C29 | H29 | 3.7° | 0.1° |
| H21 | N21 | C24 | C28 | 174.1° | 150.5° |
| H21 | N21 | C24 | C29 | 1.9° | 29.2° |
| C24 | C28 | C34 | H28 | 180.0° | 179.5° |
| C28 | C24 | C29 | C35 | 0.1° | 0.2° |
| C28 | C24 | C29 | H29 | 179.9° | 179.8° |
| C24 | C28 | C34 | C40 | 0.3° | 0.5° |
| C24 | C28 | C34 | S41 | 177.6° | 179.8° |
| C29 | C24 | C28 | C34 | 0.2° | 0.5° |
| C29 | C24 | C28 | H28 | 179.8° | 180.0° |
| C24 | C29 | C35 | H29 | 180.0° | 180.0° |
| C24 | C29 | C35 | C40 | 0.2° | 0.1° |
| C24 | C29 | C35 | H35 | 179.8° | 180.0° |
| C28 | C34 | C40 | C35 | 0.3° | 0.2° |
| C28 | C34 | C40 | S41 | 178.0° | 179.7° |
| C28 | C34 | C40 | H40 | 179.7° | 179.8° |
| C28 | C34 | S41 | O47 | 62.4° | 89.7° |
| C28 | C34 | S41 | O48 | 178.1° | 22.8° |
| C28 | C34 | S41 | O46 | 58.7° | 157.7° |
| H28 | C28 | C34 | C40 | 179.7° | 180.0° |
| H28 | C28 | C34 | S41 | 2.4° | 0.2° |
| C29 | C35 | C40 | H35 | 180.0° | 179.9° |
| C29 | C35 | C40 | C34 | 0.0° | 0.1° |
| C29 | C35 | C40 | H40 | 180.0° | 179.9° |
| H29 | C29 | C35 | C40 | 179.8° | 179.9° |
| H29 | C29 | C35 | H35 | 0.2° | 0.0° |
| C35 | C40 | C34 | H40 | 180.0° | 180.0° |
| C35 | C40 | C34 | S41 | 177.7° | 180.0° |
| H35 | C35 | C40 | C34 | 180.0° | 179.9° |
| H35 | C35 | C40 | H40 | 0.0° | 0.0° |
| C40 | C34 | S41 | O47 | 119.7° | 90.0° |
| C40 | C34 | S41 | O48 | 0.2° | 157.4° |
| C40 | C34 | S41 | O46 | 119.3° | 22.6° |
| H40 | C40 | C34 | S41 | 2.3° | 0.1° |
| C34 | S41 | O47 | O48 | 119.7° | 112.6° |
| C34 | S41 | O47 | O46 | 121.1° | 112.6° |
| C34 | S41 | O48 | O46 | 120.2° | 123.2° |
| C34 | S41 | O46 | H46 | 74.7° | 99.3° |
| O47 | S41 | O48 | O46 | 119.9° | 123.1° |
| O47 | S41 | O46 | H46 | 46.2° | 147.0° |
| O48 | S41 | O46 | H46 | 165.5° | 23.9° |
